SCHEMBL1467720

SCHEMBL1467720

NCc1cc(F)cc2c1OCOC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.47
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.43
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
CXCR5 P32302 1/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
MAPT P10636 2/20 0.35
ADRB2 P07550 1/20 0.34
APEX1 P27695 1/20 0.34

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 SCHEMBL2460792 0.98 MAPK8 (0.46) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL18885134 0.83 ALDH1A1 (0.47) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL3163857 0.83 ALDH1A1 (0.44) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL5024437 0.83 GALR3 (0.47) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL12844622 0.81 GALR3 (0.44) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL418824 0.79 ALDH1A1 (0.50) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL5018871 0.79 GALR3 (0.42) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL12775849 0.79 GALR3 (0.47) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL3873651 0.79 ALDH1A1 (0.45) MAPK8ALDH1A1TDP1KDM4EGALR3
SCHEMBL18317380 0.78 ALDH1A1 (0.55) MAPK8ALDH1A1TDP1KDM4EGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
EP-3621619-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN Arena Pharmaceuticals, Inc. (US) 2020-03-18 EP disclosed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US disclosed
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2018-12-13 US disclosed
WO-2018208848-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN ARENA PHARMACEUTICALS, INC. (US) 2018-11-15 WO disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 US disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 WO disclosed
WO-2003053958-A1 QUINAZOLINEDIONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-07-03 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 (8 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-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 MAPK8 2621/4885ALDH1A1 603/4885TDP1 4101/4885
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAPK8 1194/4885ALDH1A1 3623/4885TDP1 2102/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE MAPK8 896/4885ALDH1A1 4044/4885TDP1 460/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 MAPK8 3020/4885ALDH1A1 3045/4885TDP1 1904/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 MAPK8 1194/4885ALDH1A1 3623/4885TDP1 2102/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 MAPK8 1194/4885ALDH1A1 3623/4885TDP1 2102/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 MAPK8 2621/4885ALDH1A1 603/4885TDP1 4101/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAPK8 1194/4885ALDH1A1 3623/4885TDP1 2102/4885

“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.