SCHEMBL2800626

SCHEMBL2800626

CC(Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)NS(C)(=O)=O)cnn12)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PDE2A O00408 1/20 0.39
PRCP P42785 1/20 0.38
SPR P35270 3/20 0.37
MGLL Q99685 1/20 0.37
RBP4 P02753 1/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL2801744 0.91 KCNH2 (0.44) KCNH2HRH3PDE2APRCPSPR
SCHEMBL2800799 0.85 ADORA1 (0.45) KCNH2HRH3PRCPALDH1A1
SCHEMBL2799687 0.84 STAT6 (0.40) SPRMGLLRBP4AXLFLT3
SCHEMBL2800629 0.83 ALDH1A1 (0.40) SPRRBP4ALDH1A1L3MBTL1CA12
SCHEMBL2801440 0.82 PDE2A (0.47) PDE2ASPRRBP4AXLFLT3
SCHEMBL2803183 0.82 SPR (0.38) SPRRBP4ALDH1A1L3MBTL1CA12
SCHEMBL2802763 0.80 SPR (0.39) SPRALDH1A1L3MBTL1SCD5
SCHEMBL2802186 0.80 VNN1 (0.43) MGLLALDH1A1SCD5
SCHEMBL2802391 0.80 SMN1; SMN2 (0.41) SPRAXLFLT3TYRO3MERTK
SCHEMBL2800864 0.79 CCR1 (0.42) KCNH2

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 KCNH2 2531/4885HRH3 2544/4885PDE2A 813/4885

“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.