SCHEMBL509010

SCHEMBL509010

Cc1ccc(N)cc1C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 4/20 0.41
RECQL P46063 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
TNF P01375 1/20 0.41
HSPD1 P10809 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
SCHEMBL2577265 0.85 PDE10A (0.45) CASP1TSHRALDH1A1CYP3A4MEN1
SCHEMBL1708822 0.82 KMT2A (0.57) CASP1ALDH1A1CYP3A4RECQLMEN1
SCHEMBL17774838 0.81 KDM4E (0.60) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL7225379 0.80 HPGD (0.49) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL10389402 0.80 MEN1 (0.50) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL17774831 0.79 GAA (0.49) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL10325047 0.79 ALDH1A1 (0.46) CASP1ALDH1A1CYP3A4RECQLMEN1
SCHEMBL5906549 0.79 AR (0.47) CASP1ALDH1A1CYP3A4RECQLMEN1
SCHEMBL4020512 0.79 ALDH1A1 (0.64) CASP1TSHRALDH1A1CYP3A4RECQL
SCHEMBL24941116 0.78 PDK2 (0.45) ALDH1A1CYP3A4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 US disclosed
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 US disclosed
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 US disclosed
US-8314123-B2 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
EP-2099765-B1 5, 6, OR 7-SUBSTITUTED-3-ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS REXAHN PHARMACEUTICALS INC (US) 2012-08-29 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
EP-2423196-A1 5, 6 or 7-substituted-3-phenylisoquinolinamine derivatives and therapeutic use thereof Rexahn Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-8034829-B2 e.g. 3-(3-methoxyphenyl)isoquinolin-1-amine; antiproliferative and antigrowth agent; breast tumors, prostate tumors, colon tumors, ovary tumors, kidney tumors, pancreas tumors, glioblastoma and melanoma. REXAHN PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
EP-2099765-A2 5, 6, OR 7-SUBSTITUTED-3-(HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS Rexahn Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
US-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
WO-2008063548-A2 5, 6, OR 7-SUBSTITUTED-S- (HETERO)ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS REXAHN PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
US-4942163-A LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-17 US disclosed
US-4031073-A Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof CIBA-GEIGY CORPORATION (US) 1977-06-21 US 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-20080182871-A1 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof FANCD2, NRAS, CCND2 CASP1 4327/4885TSHR 3704/4885ALDH1A1 997/4885
US-20120029012-A1 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF FANCD2, NRAS, CCND2 CASP1 4327/4885TSHR 3704/4885ALDH1A1 997/4885
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS RIPK1, RIPK3, RIPK2 CASP1 16/4885TSHR 4307/4885ALDH1A1 4794/4885

“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.