SCHEMBL402940

SCHEMBL402940

Cc1ccccc1-c1nocc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
MYC P01106 1/20 0.47
NR1H4 Q96RI1 2/20 0.47
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
FTO Q9C0B1 1/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL10191572 0.87 GPBAR1 (0.44) MCL1MYCNR1H4ALDH1A1TSHR
SCHEMBL3243766 0.86 IKBKB (0.44) MCL1MYCNR1H4ALDH1A1TSHR
SCHEMBL13960955 0.82 MYC (0.49) MCL1MYCNR1H4ALDH1A1TSHR
SCHEMBL3171592 0.81 CA9 (0.44) ALDH1A1TSHRKDM4EUSP2HPGD
SCHEMBL405942 0.81 TSHR (0.50) ALDH1A1TSHRKDM4EUSP2GPBAR1
SCHEMBL3175162 0.81 GPBAR1 (0.60) ALDH1A1TSHRGPBAR1HPGDNPC1
SCHEMBL12501726 0.81 NPC1 (0.52) ALDH1A1TSHRKDM4EUSP2GPBAR1
SCHEMBL1225673 0.78 PTGS2 (0.44) ALDH1A1TSHRKDM4EHPGDNPC1
SCHEMBL27860631 0.77 ALDH1A1 (0.46) ALDH1A1GPBAR1HPGDDHODHLMNA
SCHEMBL27934992 0.76 PTGS2 (0.43) ALDH1A1TSHRKDM4EHPGDNPC1

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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
CN-102271515-B Pyrazolopyrimidine jak inhibitor compounds and methods GENENTECH INC 2014-07-02 CN disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed
US-20100022590-A1 Novel compounds BIOVITRUM AB (PUBL.) (SE) 2010-01-28 US disclosed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 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 (4 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MCL1 328/4885MYC 2262/4885NR1H4 1168/4885
US-20100022590-A1 Novel compounds HSD11B1, CYP11B1, HSD11B2 MCL1 4424/4885MYC 4678/4885NR1H4 313/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MCL1 328/4885MYC 2262/4885NR1H4 1168/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MCL1 328/4885MYC 2262/4885NR1H4 1168/4885

“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.