SCHEMBL2801692

SCHEMBL2801692

CS(=O)(=O)NC(=O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)CNc3ccccc34)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.39
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.37
MARK2 Q7KZI7 2/20 0.34
PDPK1 O15530 1/20 0.34
PRKCZ Q05513 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SPR P35270 2/20 0.33
VNN1 O95497 2/20 0.33
SLC6A7 Q99884 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MAPK13 O15264 1/20 0.32
LIMK1 P53667 1/20 0.32
NR3C1 P04150 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL2803834 0.87 RBP4 (0.40) ALDH1A1TSHRTACR1
SCHEMBL2802503 0.86 CCR5 (0.34) HDAC1MARK2PDPK1PRKCZALDH1A1
SCHEMBL2801247 0.85 IDO1 (0.39) AVPR1AMARK2PDPK1PRKCZALDH1A1
SCHEMBL2801130 0.85 CCR5 (0.35) MARK2PDPK1PRKCZALDH1A1KDM4E
SCHEMBL2803222 0.85 HSD11B1 (0.33) MARK2PDPK1PRKCZALDH1A1SPR
SCHEMBL2802406 0.85 MCHR2 (0.33) MARK2PDPK1PRKCZALDH1A1SPR
SCHEMBL2803842 0.83 SCD5 (0.36) MARK2PDPK1PRKCZALDH1A1SPR
SCHEMBL2803194 0.83 AVPR1A (0.45) AVPR1ASPR
SCHEMBL2800930 0.83 MCHR2 (0.39)
SCHEMBL2804011 0.83 NPY5R (0.42) AVPR1A

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 AVPR1A 4789/4885KCNH2 2531/4885HDAC1 607/4885

“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.