SCHEMBL17818408

SCHEMBL17818408

C#Cc1cccc(NC(=O)c2cccc(C)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 14/20 0.72
KCNK9 Q9NPC2 10/20 0.72
KCNH2 Q12809 1/20 0.72
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
RXFP1 Q9HBX9 1/20 0.68
POLB P06746 1/20 0.67
HDAC3 O15379 1/20 0.59
EGFR P00533 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NPC1 O15118 2/20 0.58

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
SCHEMBL13400497 0.90 KCNK3 (0.56) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL3838614 0.90 HDAC1 (0.66) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL17818378 0.87 NPC1 (0.56) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL15907199 0.87 HDAC3 (0.60) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL13132905 0.86 GPR17 (0.58) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL4252916 0.86 KCNK3 (0.72) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL5612900 0.85 KCNK3 (0.69) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL22627078 0.85 MEN1 (0.61) KCNK3KCNK9MEN1KMT2ARXFP1
SCHEMBL4253897 0.85 KCNK3 (0.93) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL13400494 0.84 HDAC3 (0.55) KCNK3KCNK9KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297683-B1 IDENTIFIABLE CHEMICAL PRODUCT JOHNSON MATTHEY PLC (GB) 2022-03-23 EP disclosed
US-11141385-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-12 US disclosed
US-20180155274-A1 IDENTIFIABLE CHEMICAL PRODUCT JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-06-07 US disclosed
US-20180155274-A1 IDENTIFIABLE CHEMICAL PRODUCT JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-06-07 US disclosed
US-20180155274-A1 IDENTIFIABLE CHEMICAL PRODUCT JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-06-07 US disclosed
EP-3297683-A1 IDENTIFIABLE CHEMICAL PRODUCT Johnson Matthey Public Limited Company (GB) 2018-03-28 EP disclosed
CN-105431436-B Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2017-11-28 CN disclosed
EP-2997030-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
US-9682083-B2 Pyrrolo[2,3-D]pyrimidine derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-06-20 US disclosed
WO-2016185177-A1 IDENTIFIABLE CHEMICAL PRODUCT JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2016-11-24 WO disclosed
US-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-06-16 US disclosed
CN-105431436-A Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2016-03-23 CN 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-20160166575-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, DCK, PRKD2 KCNK3 3041/4885KCNK9 3599/4885KCNH2 4165/4885
US-20180155274-A1 IDENTIFIABLE CHEMICAL PRODUCT MYADM, B2M, HLA-C KCNK3 1826/4885KCNK9 2163/4885KCNH2 778/4885
US-11141385-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof CYP2F1, CYP2S1, NAF1 KCNK3 2551/4885KCNK9 1758/4885KCNH2 668/4885

“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.