SCHEMBL15712699

SCHEMBL15712699

COC(=O)c1cc(C2CCCCC2)ccc1Nc1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.47
ERBB2 P04626 3/20 0.45
ERBB4 Q15303 3/20 0.45
EGFR P00533 2/20 0.45
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK6 Q00534 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
EPHX2 P34913 1/20 0.42
ACHE P22303 1/20 0.42
DHODH Q02127 2/20 0.40
NR1I2 O75469 1/20 0.39
JAK3 P52333 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL15712831 0.99 SYK (0.48) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712370 0.96 ERBB2 (0.47) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712789 0.91 SYK (0.49) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712901 0.90 SYK (0.50) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712566 0.87 SYK (0.56) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712121 0.87 EPHX2 (0.45) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712287 0.87 EPHX2 (0.42) SYKERBB2ERBB4EGFREPHX2
SCHEMBL15712371 0.86 DHODH (0.51) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712636 0.85 DHODH (0.56) SYKERBB2ERBB4EGFRCDK1
SCHEMBL15712123 0.85 EPHX2 (0.44) SYKERBB2ERBB4EGFREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
WO-2014069510-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-05-08 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 (1 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-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 SYK 3515/4885ERBB2 1135/4885ERBB4 786/4885

“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.