SCHEMBL7823188

SCHEMBL7823188

Cc1nc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
ACHE P22303 1/20 0.47
RAC1 P63000 2/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL19009532 0.91 MEN1 (0.54) ADORA3HPGDSMN1; SMN2LMNAMEN1
SCHEMBL16189308 0.90 MEN1 (0.53) ADORA3HPGDSMN1; SMN2LMNAMEN1
SCHEMBL30112574 0.89 ALDH1A1 (0.51) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9218101 0.87 CYP2A6 (0.50) HPGDALDH1A1KDM4ERAC1TDP1
SCHEMBL19037219 0.86 L3MBTL1 (0.47) ADORA3HPGDSMN1; SMN2LMNAMEN1
Quinoline SCHEMBL27373326 0.86 ALDH1A1 (0.50) HPGDSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL30112644 0.85 TP53 (0.48) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27992753 0.85 RAC1 (0.46) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30112646 0.85 CYP19A1 (0.47) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16189282 0.84 MEN1 (0.47) ADORA3HPGDSMN1; SMN2LMNAMEN1

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
CN-113121437-B Synthetic method of 1,3-disubstituted isoquinoline derivative 浙江大学 2022-12-06 CN disclosed
US-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9133115-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
EP-0888346-B1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS UNIV RUTGERS (US) 2001-06-06 EP disclosed
EP-0888346-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-01-07 EP disclosed
WO-1997029106-A1 CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1997-08-14 WO disclosed
US-4788204-A TRANQUILIZERS; ANTICONVULSANTS; ANGINA AND IMMUNODIFICIENCY TREATMENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
US-4788199-A ANXIOLYTICS, ANTICONVULSANTS, ANTIANGINA AGENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
US-4711890-A TREATMENT OF ANXIETY STATES OR OF PULMONARY, RENAL, CIRCULATORY OF CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-12-08 US disclosed
US-4684652-A TREATING ANXIETY OR CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-08-04 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 (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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ADORA3 2920/4885HPGD 3943/4885SMN1; SMN2 3273/4885
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L ADORA3 622/4885HPGD 4280/4885SMN1; SMN2 4759/4885

“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.