SCHEMBL391538

SCHEMBL391538

COc1cc[c]cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
IDO1 P14902 2/20 0.33
MCL1 Q07820 1/20 0.33
ALOX15 P16050 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7388700 0.85 TAAR1 (0.35) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL2480627 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL457842 0.82 TAAR1 (0.37) IDO1TAAR1TSHRHSD17B10CHRM2
SCHEMBL12493242 0.81 ALDH1A1 (0.38) LMNASMN1; SMN2HSD17B10ALDH1A1GAA
SCHEMBL10489476 0.80 IDO1 (0.33) IDO1MCL1TAAR1CHRM2CHRM1
SCHEMBL18706034 0.80 TAAR1 (0.41) IDO1TAAR1TSHRALDH1A1GAA
SCHEMBL7691596 0.80 IDO1 (0.37) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL3547466 0.78 HMGCR (0.43) TAAR1SMN1; SMN2ALDH1A1GAA
SCHEMBL18705770 0.78 SLC6A4 (0.39) TSHRSMN1; SMN2CHRM2CHRM1ALDH1A1
SCHEMBL2442291 0.78 HSD17B10 (0.54) TAAR1TSHRLMNASMN1; SMN2HSD17B10

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
WO-2018151678-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-23 WO claimed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 US claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
CN-105980386-A Pyrazolo compounds and uses thereof 基因泰克公司 2016-09-28 CN claimed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 US claimed
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
CN-102307474-A Imidazopyrazine SYK inhibitors CGI PHARMACEUTICALS INC 2012-01-04 CN claimed
EP-2373169-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2011-10-12 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2010-09-02 US claimed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed
EP-1954699-A1 PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Kudos Pharmaceuticals Ltd (GB) 2008-08-13 EP claimed
WO-2007060404-A1 PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-05-31 WO claimed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 PDE4A 542/4885PDE4B 588/4885PDE4C 631/4885
US-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B PDE4A 520/4885PDE4B 384/4885PDE4C 555/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD PDE4A 2195/4885PDE4B 2280/4885PDE4C 2286/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B PDE4A 520/4885PDE4B 384/4885PDE4C 555/4885
US-20100222323-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 PDE4A 871/4885PDE4B 1324/4885PDE4C 1233/4885

“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.