SCHEMBL908010

SCHEMBL908010

NC1=NN(c2cccnc2)C(c2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HSP90AA1 P07900 1/20 0.44
ATM Q13315 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL10418596 0.79 MAPT (0.50) ALDH1A1LMNATDP1KMT2AMEN1
SCHEMBL11064115 0.79 MEN1 (0.58) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL11060046 0.76 PRKCZ (0.51) GAAKDM4EALDH1A1GLALMNA
SCHEMBL9203820 0.73 PRKCZ (0.48) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL11068412 0.73 MEN1 (0.54) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL11095289 0.72 PRKCZ (0.52) GAAKDM4EALDH1A1GLASMN1; SMN2
SCHEMBL11068397 0.72 PRKCZ (0.52) EGFRERBB2PRKCZ
SCHEMBL11060811 0.70 PRKCZ (0.56) KMT2AMEN1ATMMAOAMAOB
SCHEMBL11060055 0.70 EGFR (0.53) KDM4EALDH1A1GLASMN1; SMN2LMNA
SCHEMBL11058379 0.67 PRKCZ (0.57) L3MBTL1PRKCZCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US claimed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP claimed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 WO claimed
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US disclosed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP disclosed
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 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 (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-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases DAO, DDO, MAOA GAA 191/4885KDM4E 1911/4885ALDH1A1 510/4885

“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.