SCHEMBL2801439

SCHEMBL2801439

COc1ccccc1C1CCN(C(=O)c2cnc3c(Br)cnn3c2NCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CHRM4 P08173 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK14 Q16539 1/20 0.42
TACR1 P25103 1/20 0.41
TRPC6 Q9Y210 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TYRO3 Q06418 2/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
MERTK Q12866 1/20 0.40
CASP1 P29466 1/20 0.39
F2 P00734 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
SCHEMBL2801051 0.92 NPSR1 (0.54) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL2800526 0.89 AXL (0.43) ALDH1A1MAPTNPSR1CYP2C9CYP2C19
SCHEMBL2801948 0.88 CHRM4 (0.42) ALDH1A1MAPTNPSR1CHRM4CYP2C9
SCHEMBL2800606 0.87 NPSR1 (0.49) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL2802845 0.86 STAT6 (0.41) ALDH1A1MAPTMEN1KMT2ACHRM4
SCHEMBL2801418 0.84 CHRM4 (0.42) ALDH1A1MAPTMEN1KMT2ACHRM4
SCHEMBL2800587 0.84 STAT6 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2799022 0.83 ALDH1A1 (0.44) ALDH1A1MAPTCHRM4KDM4E
SCHEMBL2800878 0.83 TP53BP1 (0.38) ALDH1A1KDM4ETYRO3AXLFLT3
SCHEMBL2801457 0.82 AXL (0.40) MAPTKMT2ATYRO3AXLFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ALDH1A1 243/4885MAPT 2533/4885NPSR1 4630/4885

“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.