SCHEMBL1699062

SCHEMBL1699062

Cn1nc(C(C)(C)C)cc1NC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GRN P28799 1/20 0.61
SORT1 Q99523 1/20 0.61
MAPK13 O15264 2/20 0.60
MAPK11 Q15759 2/20 0.60
MAPK12 P53778 1/20 0.60
CNR2 P34972 1/20 0.55
RAF1 P04049 1/20 0.52
ERBB2 P04626 1/20 0.52

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
SCHEMBL7112019 0.87 MAPK14 (0.63) MAPK14MAPTLMNAKDM4EGRN
SCHEMBL31034603 0.86 CDK8 (0.62) MAPK14MAPTLMNAKDM4EGRN
SCHEMBL1465671 0.86 MAPK14 (0.62) MAPK14MAPTLMNAKDM4EGRN
SCHEMBL9892358 0.86 CNR2 (0.59) MAPK14MAPTLMNAKDM4EGRN
SCHEMBL9891930 0.83 MAPK14 (0.56) MAPK14MAPTLMNAKDM4EGRN
SCHEMBL4139014 0.83 CNR2 (0.56) MAPK14MAPTLMNAKDM4EGRN
SCHEMBL9957946 0.83 MAPK14 (0.46) MAPK14MAPTLMNAKDM4EGRN
SCHEMBL13234496 0.81 MAPK14 (0.73) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL25735854 0.81 MAPK14 (0.85) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL18407354 0.81 MAPK14 (0.81) MAPK14MAPTLMNAMAPK13MAPK11

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 30 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
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-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 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-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-9771353-B2 Kinase inhibitors based upon N-alkyl pyrazoles TOPIVERT PHARMA LIMITED (GB) 2017-09-26 US disclosed
EP-2981534-B1 KINASE INHIBITORS BASED UPON N-ALKYL PYRAZOLES TOPIVERT PHARMA LTD (GB) 2017-07-19 EP disclosed
US-9296722-B2 Azolyl urea compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-7563791-B2 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-07-21 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-06 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
EP-1765823-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005121147-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-22 WO disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 (6 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 MAPK14 23/4885MAPT 2368/4885LMNA 3939/4885
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 MAPK14 2983/4885MAPT 1508/4885LMNA 1542/4885
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof FLT3, WEE1, SLC14A1 MAPK14 23/4885MAPT 2368/4885LMNA 3939/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 MAPK14 3979/4885MAPT 3805/4885LMNA 3346/4885
US-20070208013-A1 6-(Methoxymethyl)-5-(4-nitrophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine; antiproliferative agents; angiogenesis inhibition; anticarcinogenic agents; breast cancer; colon cancer; antitumor agents MKI67, CCNA1, CCNI MAPK14 1614/4885MAPT 2446/4885LMNA 2990/4885
US-10800741-B2 Quinoline compound, preparation method and medical use therefor WEE2, WEE1, HASPIN MAPK14 57/4885MAPT 3540/4885LMNA 3323/4885

“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.