SCHEMBL2799952

SCHEMBL2799952

CCOC(=O)c1cnc2c(Br)cnn2c1NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
ADORA1 P30542 2/20 0.51
GSK3B P49841 1/20 0.51
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TP53 P04637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
STAT1 P42224 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49

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
SCHEMBL2800726 0.88 CCNA2 (0.56) RAB9ANPSR1CCNA2CDK2MAPT
SCHEMBL2801494 0.86 CCNA2 (0.57) RAB9ANPSR1CCNA2CDK2MAPT
SCHEMBL2800561 0.86 SRC (0.47) CDK2ADORA1GSK3BALDH1A1HPGD
SCHEMBL2801103 0.82 NPC1 (0.49) RAB9AMAPTSMN1; SMN2NPC1NFKB1
SCHEMBL2802395 0.77 KDM4E (0.44) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL2800357 0.76 NPC1 (0.56) RAB9AMAPTSMN1; SMN2NPC1NFKB1
SCHEMBL1522657 0.76 ALDH1A1 (0.68) RAB9ANPSR1CCNA2CDK2MAPT
SCHEMBL2803195 0.76 NPC1 (0.45) RAB9ANPSR1MAPTSMN1; SMN2NPC1
SCHEMBL2800587 0.75 STAT6 (0.42) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2800526 0.75 AXL (0.43) NPSR1MAPTALDH1A1TP53LMNA

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 RAB9A 3259/4885NPSR1 4630/4885CCNA2 2900/4885

“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.