SCHEMBL6990859

SCHEMBL6990859

Nc1ccc(-n2ccc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.67
HTR6 P50406 2/20 0.51
CDC7 O00311 1/20 0.49
CDK2 P24941 1/20 0.49
ROCK1 Q13464 1/20 0.49
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
MGLL Q99685 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
Aniline SCHEMBL22656869 0.90 BIRC5 (0.59) BIRC5HTR6CDC7CDK2ROCK1
SCHEMBL28797317 0.87 BIRC5 (0.53) BIRC5HTR6CDC7CDK2ROCK1
SCHEMBL13242029 0.83 BIRC5 (0.71) BIRC5CDC7CDK2ROCK1PRKD3
SCHEMBL170890 0.83 BIRC5 (0.70) BIRC5HTR6CDC7CDK2ROCK1
SCHEMBL29475118 0.83 BIRC5 (0.70) BIRC5HTR6CDC7CDK2ROCK1
SCHEMBL13483678 0.82 BIRC5 (0.55) BIRC5HTR6CDC7CDK2ROCK1
Phosphine SCHEMBL28297804 0.81 BIRC5 (0.68) BIRC5HTR6CDC7CDK2ROCK1
Hydrochloric Acid SCHEMBL3803742 0.81 BIRC5 (0.68) BIRC5HTR6CDC7CDK2ROCK1
SCHEMBL20992708 0.80 POLB (0.56) BIRC5SMN1; SMN2KDM4ENPC1TP53
SCHEMBL3194559 0.80 BIRC5 (0.67) BIRC5CDC7CDK2ROCK1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 EP disclosed
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 EP disclosed
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN disclosed
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-05-12 US disclosed
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-05-12 US disclosed
US-20190135747-A1 INDOLE AND INDAZOLE CYANOCINNAMATE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIV MINNESOTA (US) 2019-05-09 US disclosed
US-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-02-14 US disclosed
US-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-02-14 US disclosed
EP-3424924-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-01-09 EP disclosed
CN-109071523-A Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2018-12-21 CN disclosed
US-20070299125-A1 Substituted indoles WYETH (US) 2007-12-27 US disclosed
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 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 (4 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-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FLT3, WEE1, SLC14A1 BIRC5 1780/4885HTR6 4378/4885CDC7 160/4885
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof FLT3, WEE1, SLC14A1 BIRC5 1780/4885HTR6 4378/4885CDC7 160/4885
US-20070299125-A1 Substituted indoles IDO2, IDO1, INMT BIRC5 491/4885HTR6 17/4885CDC7 3442/4885
US-20190135747-A1 INDOLE AND INDAZOLE CYANOCINNAMATE COMPOUNDS AND THERAPEUTIC USES THEREOF HCCS, IDO1, IDH3A BIRC5 121/4885HTR6 273/4885CDC7 575/4885

“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.