SCHEMBL2800849

SCHEMBL2800849

CC1=Cc2ccccc2C12CCN(C(=O)c1cnc3c(C(=O)O)cnn3c1NCc1ccccc1)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
PDE4B Q07343 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
VNN1 O95497 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
SPR P35270 1/20 0.34
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A7 Q99884 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 2/20 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
SCHEMBL2801649 0.92 CCNA2 (0.43) CA12CA1CA2CA5ACA9
SCHEMBL2802821 0.92 ALDH1A1 (0.34) PDE4BCA12CA1CA2CA5A
SCHEMBL2800800 0.87 PDE4B (0.48) PDE4BKDM4EALDH1A1TDP1HPGD
SCHEMBL2800377 0.84 PDE4B (0.43) PDE4BKDM4EALDH1A1HPGDGAA
SCHEMBL2801253 0.83 FFAR1 (0.40) ADORA3ADORA2AADORA1
SCHEMBL2798930 0.83 TP53 (0.40) PDE4BKDM4EALDH1A1HPGDTP53
SCHEMBL2801330 0.82 VNN1 (0.36) SRCVNN1ADORA3ADORA2AADORA1
SCHEMBL2799462 0.81 PDE4B (0.44) PDE4BKDM4EALDH1A1HPGDTP53
SCHEMBL2802606 0.81 RBP4 (0.49) SRCADORA3ADORA2AADORA1ALDH1A1
SCHEMBL2801342 0.80 KDM4E (0.46) SPRKDM4EALDH1A1SLC6A7TP53

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 SRC 722/4885PDE4B 1603/4885CA12 2287/4885

“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.