SCHEMBL8280802

SCHEMBL8280802

COc1cc(OCc2ccccc2)ccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
ALOX5 P09917 1/20 0.54
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
ALOX12 P18054 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
MAOA P21397 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL19286354 0.90 ALOX5 (0.58) MAOBALOX5MAPTGAASMN1; SMN2
SCHEMBL13802180 0.87 MAOB (0.60) MAOBALOX5PDGFRBPDGFRAALDH1A1
SCHEMBL14619309 0.87 MAOB (0.61) MAOBALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6035769 0.86 MAOB (0.51) MAOBALOX5MAPTGAASMN1; SMN2
SCHEMBL18623122 0.85 MAOB (0.62) MAOBALOX5PDGFRBPDGFRAALDH1A1
SCHEMBL2090976 0.85 MAOB (0.62) MAOBALOX5PDGFRBPDGFRAALDH1A1
SCHEMBL8335885 0.82 ALOX5 (0.61) MAOBALOX5MAPTGAASMN1; SMN2
SCHEMBL15365 0.82 MAOB (0.58) MAOBALOX5PDGFRBPDGFRAALDH1A1
SCHEMBL12473745 0.82 MAOB (0.58) MAOBALOX5PDGFRBPDGFRAALDH1A1
SCHEMBL6119729 0.82 MAOB (0.58) MAOBALOX5PDGFRBPDGFRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
CN-109071541-A Phenyl [ a ] indole [2,3-g ] quinolizine compound, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2018-12-21 CN disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
EP-3103802-B1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2017-11-08 EP disclosed
CN-107286158-A Phenyl [a] indoles [2,3-g] and quinolizine class compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2017-10-24 CN disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
WO-2017111074-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND 大鵬薬品工業株式会社 2017-06-29 WO disclosed
EP-3103802-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT Taiho Pharmaceutical Co., Ltd. (JP) 2016-12-14 EP disclosed
CN-100475034-C Use of phenethylacrylamides, novel phenethylacrylamides, preparation thereof and compositions containing them BASF AG (DE) 2009-04-08 CN disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
WO-2005082866-A2 SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-09-09 WO disclosed
CN-1436043-A Use of phenethyl acrylamides, novel phenethyl acrylamides, and method for producing same and composition contg. same BASF AG (DE) 2003-08-13 CN 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 (3 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 MAOB 1280/4885ALOX5 3707/4885PDGFRB 956/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 MAOB 3852/4885ALOX5 2440/4885PDGFRB 2632/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 MAOB 3852/4885ALOX5 2440/4885PDGFRB 2632/4885

“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.