SCHEMBL3300449

SCHEMBL3300449

Cc1cc(CN)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAOA P21397 1/20 0.42
NOTUM Q6P988 1/20 0.42
FCGR1A P12314 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
RIPK1 Q13546 5/20 0.41
ALDH1A1 P00352 2/20 0.41
STAT1 P42224 1/20 0.41
NPY5R Q15761 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL28433874 0.82 MAPK1 (0.47) MAPK1CYP1A2CYP2C19MAPTPOLB
SCHEMBL2832928 0.82 MAPK1 (0.47) MAPK1CYP1A2CYP2C19MAPTPOLB
SCHEMBL16804455 0.82 MAPT (0.63) MAPK1CYP1A2CYP2C19MAPTPOLB
SCHEMBL12895593 0.79 CNR1 (0.46) MAPK1CYP1A2CYP2C19MAPTPOLB
SCHEMBL6533675 0.79 MAPK1 (0.49) MAPK1CYP1A2CYP2C19MAPTPOLB
SCHEMBL12895594 0.79 ALDH1A1 (0.46) MAPK1CYP1A2CYP2C19MAPTPOLB
SCHEMBL16210674 0.79 POLB (0.43) MAPTPOLBNOTUMCNR1CNR2
SCHEMBL3300740 0.76 KCNH2 (0.60) MAPK1CYP1A2CYP2C19MAOANOTUM
SCHEMBL3487668 0.76 MAPK1 (0.56) MAPK1CYP1A2CYP2C19MAPTPOLB
SCHEMBL964125 0.75 MAPK1 (0.66) MAPK1CYP1A2CYP2C19MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 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 (1 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-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 MAPK1 2242/4885CYP1A2 2881/4885CYP2C19 2391/4885

“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.