SCHEMBL1099323

SCHEMBL1099323

CN(C)c1ccnc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.52
NOS2 P35228 4/20 0.52
NOS1 P29475 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41

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
SCHEMBL29818474 1.00 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
Bicarbonate SCHEMBL5997835 0.90 KDM4E (0.61) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL4665680 0.78 NOS3 (0.44) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL2235251 0.77 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
2-Aminopyridine SCHEMBL9487893 0.77 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL196641 0.76 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1CHRM5
SCHEMBL16212184 0.75 NOS2 (0.42) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL1857798 0.74 UHRF1 (0.52) KDM4EALDH1A1CHRM5CHKAALOX15
SCHEMBL30002302 0.74 UHRF1 (0.52) KDM4EALDH1A1CHRM5CHKAALOX15
SCHEMBL18221640 0.74 ALDH1A1 (0.52) KDM4EMEN1KMT2AALDH1A1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174658-B High-performance BaTiO with core-shell structure3Base ceramic dielectric material and preparation method thereof 泗阳群鑫电子有限公司 2021-06-22 CN claimed
CN-118119630-A Boric acid derivatives 首药控股(北京)股份有限公司 2024-05-31 CN disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
CN-116589489-A Boric acid derivatives 首药控股(北京)股份有限公司 2023-08-15 CN disclosed
WO-2023061445-A1 BORONIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2023-04-20 WO disclosed
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
CN-112174658-B High-performance BaTiO with core-shell structure3Base ceramic dielectric material and preparation method thereof 泗阳群鑫电子有限公司 2021-06-22 CN disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
CN-112174658-A High-performance BaTiO with core-shell structure3Base ceramic dielectric material and preparation method thereof 泗阳群鑫电子有限公司 2021-01-05 CN disclosed
EP-1802603-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040522-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
CN-1051036-A The treatment of HIV (human immunodeficiency virus) infections and in treatment used compound UNIROYAL CHEM CO INC (US) 1991-05-01 CN disclosed
US-5003069-A Chichibabin reaction REILLY INDUSTRIES, INC. (US) 1991-03-26 US disclosed
EP-0165572-A2 Herbicidal sulfonyl urea SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-12-27 EP disclosed
EP-0098684-A2 Modified chichibabin reaction, and novel pyridine derivatives REILLY INDUSTRIES, INC. (US) 1984-01-18 EP disclosed
US-4386209-A Chichibabin reaction REILLY TAR & CHEMICAL CORPORATION (US) 1983-05-31 US disclosed
US-4112101-A N-(Pyridyl)-1H-(or 2H) tetrazole-5-carboxamide derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1978-09-05 US 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 (3 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-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR NOS3 1744/4885NOS2 2286/4885NOS1 3166/4885
US-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN NOS3 4318/4885NOS2 4429/4885NOS1 4432/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 NOS3 2711/4885NOS2 3054/4885NOS1 4180/4885

“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.