SCHEMBL438604

SCHEMBL438604

Cc1ccc2nc(C)cc(N)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.63
LMNA P02545 1/20 0.61
ALDH1A1 P00352 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GNG2 P59768 2/20 0.57
GNB1 P62873 2/20 0.57
MEN1 O00255 1/20 0.57
MMP1 P03956 1/20 0.57
MMP9 P14780 1/20 0.57
ALOX15 P16050 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 1/20 0.57
TERT O14746 4/20 0.55
DOT1L Q8TEK3 3/20 0.54
NR4A2 P43354 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3235863 0.84 NCF1 (0.63) NCF1LMNAALDH1A1CASP1CASP7
SCHEMBL5456804 0.84 BACE1 (0.55) NCF1LMNAALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL30579056 0.82 NCF1 (0.61) NCF1LMNAALDH1A1CASP1CASP7
SCHEMBL6616973 0.81 NCF1 (0.59) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL437502 0.81 NCF1 (0.59) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL439684 0.81 NCF1 (0.59) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL440491 0.81 NR4A2 (0.74) NCF1LMNAALDH1A1CASP1CASP7
SCHEMBL28086396 0.81 LMNA (0.44) NCF1LMNAALDH1A1CASP1CASP7
SCHEMBL28220049 0.80 NCF1 (0.54) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL3531515 0.79 LMNA (0.66) LMNAALDH1A1MEN1ALOX15KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101337-A1 QUINAZOLINE DERIVATIVES 国立大学法人京都大学 2024-05-16 WO disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
EP-4011877-A2 METHOD OF TREATING ELEVATED PLASMA CHOLESTEROL Institut de Cardiologie de Montréal (CA) 2022-06-15 EP disclosed
US-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 US disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 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 (2 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B NCF1 4155/4885LMNA 3744/4885ALDH1A1 1363/4885
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS DPYD, NTPCR, NME1 NCF1 1011/4885LMNA 3046/4885ALDH1A1 567/4885

“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.