SCHEMBL2802845

SCHEMBL2802845

O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.41
ENPP2 Q13822 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
MGLL Q99685 2/20 0.39
CCR5 P51681 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
SPR P35270 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.38
CHRM4 P08173 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL2801418 0.94 CHRM4 (0.42) STAT6ENPP2ALDH1A1CHRM4GAA
SCHEMBL2800587 0.94 STAT6 (0.42) STAT6ENPP2L3MBTL1TP53BP1L3MBTL3
SCHEMBL2800833 0.93 GSK3B (0.47) MGLL
SCHEMBL2800915 0.92 ALDH1A1 (0.43) ALDH1A1CHRM4KDM4EMEN1LMNA
SCHEMBL2802442 0.92 AVPR1A (0.41) MGLLSPRSIRT5ALDH1A1MAPT
SCHEMBL2801457 0.92 AXL (0.40) STAT6ENPP2L3MBTL1TP53BP1L3MBTL3
SCHEMBL2800936 0.91 STAT6 (0.42) STAT6ENPP2L3MBTL1TP53BP1L3MBTL3
SCHEMBL2799022 0.90 ALDH1A1 (0.44) L3MBTL1CCR5ALDH1A1CHRM4MAPT
SCHEMBL2801948 0.89 CHRM4 (0.42) L3MBTL1TP53BP1L3MBTL3AXLFLT3
SCHEMBL2800878 0.89 TP53BP1 (0.38) L3MBTL1TP53BP1L3MBTL3AXLFLT3

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 STAT6 146/4885ENPP2 1017/4885L3MBTL1 3733/4885

“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.