SCHEMBL128443

SCHEMBL128443

Cc1cnc(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
VCAM1 P19320 3/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRM6 O15303 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11613479 0.82 ALDH1A1 (0.47) SMN1; SMN2TSHRGPR35MAPTVCAM1
SCHEMBL29377076 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TSHRCYP3A4GPR35MAPT
SCHEMBL16729350 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TSHRCYP3A4GPR35MAPT
SCHEMBL15872768 0.79 VCAM1 (0.40) SMN1; SMN2TSHRGPR35MAPTVCAM1
SCHEMBL13496371 0.79 VCAM1 (0.40) MAPTVCAM1GRIN2DGRIN3BGRIN1
SCHEMBL1328418 0.79 GPR35 (0.41) SMN1; SMN2CYP3A4GPR35MAPTVCAM1
SCHEMBL3931505 0.79 VCAM1 (0.51) TSHRMAPTVCAM1GRIN2DGRIN3B
SCHEMBL3173146 0.77 TDP1 (0.38) SMN1; SMN2TSHRMAPTVCAM1KDM4E
SCHEMBL761929 0.76 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCYP3A4GPR35MAPT
SCHEMBL2372763 0.76 ALDH1A1 (0.47) SMN1; SMN2TSHRCYP3A4MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507243-B Isothiazolo heterocyclic compounds, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-05-14 CN disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
CN-114507243-A Isothiazole heterocyclic compound, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-05-17 CN disclosed
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2021-01-26 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA INC. (US) 2010-08-12 US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 US disclosed
EP-2175859-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESULFONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION ChemoCentryx Inc (US) 2010-04-21 EP disclosed
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2009-09-17 US disclosed
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2009-09-17 US disclosed
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2009-09-17 US disclosed
WO-2009009740-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2009-01-15 WO disclosed
WO-2009009740-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2009-01-15 WO disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885TSHR 1094/4885CYP3A4 1934/4885
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 SMN1; SMN2 3974/4885TSHR 1442/4885CYP3A4 1134/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 SMN1; SMN2 2184/4885TSHR 4515/4885CYP3A4 2186/4885
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 SMN1; SMN2 3974/4885TSHR 1442/4885CYP3A4 1134/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885TSHR 1094/4885CYP3A4 1934/4885
US-20090233946-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 SMN1; SMN2 3974/4885TSHR 1442/4885CYP3A4 1134/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885TSHR 1094/4885CYP3A4 1934/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK SMN1; SMN2 3299/4885TSHR 1210/4885CYP3A4 1093/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.