SCHEMBL2417616

SCHEMBL2417616

Cc1ccccc1CC(=O)Nc1n[nH]c2sc(C(=O)Nc3ccccc3Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
LCK P06239 1/20 0.42
MAPT P10636 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
AKR1B1 P15121 1/20 0.39
EPHB3 P54753 1/20 0.39
MEN1 O00255 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
POLB P06746 1/20 0.38
GLS O94925 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
SCHEMBL2414965 0.91 LCK (0.50) KMT2ALCKMAPTNPC1ALDH1A1
SCHEMBL2417890 0.89 NPC1 (0.42) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL2415994 0.89 KMT2A (0.42) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL2411517 0.87 MAPT (0.49) KMT2AMAPTALDH1A1KDM4EHPGD
SCHEMBL2418999 0.87 MAPT (0.48) KMT2ALCKMAPTNPC1RAB9A
SCHEMBL2416097 0.87 KMT2A (0.45) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL2417194 0.87 MAPT (0.48) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL2418142 0.86 THRB (0.43) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL2420087 0.85 MAPT (0.49) KMT2ALCKMAPTMEN1POLB
SCHEMBL2417161 0.85 LCK (0.41) KMT2ALCKMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 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 (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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 KMT2A 1298/4885LCK 163/4885MAPT 2293/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 KMT2A 1298/4885LCK 163/4885MAPT 2293/4885

“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.