SCHEMBL2803128

SCHEMBL2803128

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC4(CC3)COc3c(F)cccc34)cnc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.37
ALDH1A1 P00352 5/20 0.37
KDR P35968 1/20 0.36
KDM4E B2RXH2 6/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 4/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 4/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2801052 0.96 ALDH1A1 (0.37) BRAFALDH1A1KDRKDM4ENPC1
SCHEMBL2800965 0.92 DHODH (0.35) ALDH1A1KDRKDM4EHSD17B10TSHR
SCHEMBL2800216 0.91 AVPR1A (0.41) BRAFALDH1A1KDRKDM4ENPC1
SCHEMBL2798480 0.91 ALDH1A1 (0.37) BRAFALDH1A1KDM4ENPC1RAB9A
SCHEMBL2802360 0.88 KDM4E (0.36) BRAFALDH1A1KDRKDM4ENPC1
SCHEMBL2801328 0.87 TP53 (0.37) ALDH1A1KDRKDM4EHSD17B10TSHR
SCHEMBL2800978 0.86 ADRA1A (0.38) BRAFALDH1A1KDRKDM4ENPC1
SCHEMBL2799589 0.86 KDM4E (0.41) BRAFALDH1A1KDM4ENPC1RAB9A
SCHEMBL2799919 0.86 CCNA2 (0.40) BRAFALDH1A1KDM4ENPC1RAB9A
SCHEMBL2803190 0.85 AVPR1A (0.40) BRAFALDH1A1KDRKDM4ENPC1

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 BRAF 111/4885ALDH1A1 243/4885KDR 3785/4885

“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.