SCHEMBL1206401

SCHEMBL1206401

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(F)cc1)CNC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ADORA2A P29274 3/20 0.40
KMT2A Q03164 3/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
NTRK1 P04629 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
RAB9A P51151 2/20 0.38
CHRM1 P11229 1/20 0.38
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
MEN1 O00255 1/20 0.37

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
Hydrochloric Acid SCHEMBL3457426 0.99 MAPT (0.42) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL12879095 0.90 ADORA3 (0.41) MAPTHPGDSMN1; SMN2ADORA2AADORA3
SCHEMBL1205681 0.90 ALDH1A1 (0.43) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1206304 0.86 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL4521702 0.86 CCNA2 (0.41) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL12879117 0.86 MEN1 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL17956348 0.85 CCNA2 (0.41) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL1985468 0.85 MEN1 (0.48) MAPTHPGDSMN1; SMN2KMT2ANTRK1
SCHEMBL1204639 0.84 ALDH1A1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1206281 0.82 ALDH1A1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
EP-1575954-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-09-21 EP disclosed
WO-2004056827-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-07-08 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-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 MAPT 1069/4885ALDH1A1 2240/4885HPGD 2200/4885

“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.