SCHEMBL2780628

SCHEMBL2780628

CC(C)c1nccc2c1[nH]c1cc(O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.58
MAOA P21397 8/20 0.46
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
DYRK3 O43781 1/20 0.43
CCNT1 O60563 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL23552871 0.88 HTR2C (0.51) DYRK1AMAOAACHEBCHEKDM4E
SCHEMBL30939928 0.81 CCNB2 (0.68) DYRK1AMAOACCNB2CDK1CCNB1
SCHEMBL177685 0.81 CCNB2 (0.68) DYRK1AMAOACCNB2CDK1CCNB1
SCHEMBL8852871 0.80 DYRK1A (0.52) DYRK1AMAOACCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL647417 0.80 CCNB2 (0.66) DYRK1AMAOACCNB2CDK1CCNB1
SCHEMBL28471481 0.79 DYRK1A (0.82) DYRK1AMAOACCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL970432 0.79 CCNB2 (0.64) DYRK1AMAOACCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL3769079 0.79 CCNB2 (0.64) DYRK1AMAOACCNB2CDK1CCNB1
SCHEMBL16123490 0.78 DYRK1A (0.53) DYRK1AMAOACCNB2CDK1CCNB1
SCHEMBL2733976 0.78 TDO2 (0.65) DYRK1AMAOACCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927570-B2 1-naphthyl-or 1-dihydroacenaphthenyl-pyrido[B]indoles and uses thereof in treating cancers BUOLAMWINI JOHN K (US) 2015-01-06 US disclosed
US-8927570-B2 1-naphthyl-or 1-dihydroacenaphthenyl-pyrido[B]indoles and uses thereof in treating cancers BUOLAMWINI JOHN K (US) 2015-01-06 US disclosed
US-8927570-B2 1-naphthyl-or 1-dihydroacenaphthenyl-pyrido[B]indoles and uses thereof in treating cancers BUOLAMWINI JOHN K (US) 2015-01-06 US disclosed
US-20130131070-A1 1-Aryl or 1- Heteroaryl-Pyrido(B)indoles and Uses Thereof BUOLAMWINI JOHN K (US) 2013-05-23 US disclosed
US-20130131070-A1 1-Aryl or 1- Heteroaryl-Pyrido(B)indoles and Uses Thereof BUOLAMWINI JOHN K (US) 2013-05-23 US disclosed
US-20130131070-A1 1-Aryl or 1- Heteroaryl-Pyrido(B)indoles and Uses Thereof BUOLAMWINI JOHN K (US) 2013-05-23 US disclosed
US-8329723-B2 1-aryl- or 1-heteroaryl-pyrido[B]indoles and uses thereof in treating cancers QUESREMA ENTERPRISES 2012-12-11 US disclosed
US-8329723-B2 1-aryl- or 1-heteroaryl-pyrido[B]indoles and uses thereof in treating cancers QUESREMA ENTERPRISES 2012-12-11 US disclosed
US-8329723-B2 1-aryl- or 1-heteroaryl-pyrido[B]indoles and uses thereof in treating cancers QUESREMA ENTERPRISES 2012-12-11 US disclosed
US-20100317667-A1 1-aryl-or 1-heteroaryl-pyrido[B]indoles and uses thereof QUESREMA ENTERPRISES 2010-12-16 US disclosed
US-20100317667-A1 1-aryl-or 1-heteroaryl-pyrido[B]indoles and uses thereof QUESREMA ENTERPRISES 2010-12-16 US disclosed
US-20100317667-A1 1-aryl-or 1-heteroaryl-pyrido[B]indoles and uses thereof QUESREMA ENTERPRISES 2010-12-16 US disclosed
WO-2010123583-A2 1-ARYL OR 1-HETEROARYL-PYRIDO[B]INDOLES AND USES THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-10-28 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 (2 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-20100317667-A1 1-aryl-or 1-heteroaryl-pyrido[B]indoles and uses thereof NAT1, KMO, PKD1 DYRK1A 932/4885MAOA 1494/4885CCNB2 384/4885
US-20130131070-A1 1-Aryl or 1- Heteroaryl-Pyrido(B)indoles and Uses Thereof HRH3, HRH4, CNR1 DYRK1A 1295/4885MAOA 1249/4885CCNB2 74/4885

“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.