SCHEMBL3493567

SCHEMBL3493567

CCSc1ccc(Br)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
DGAT1 O75907 1/20 0.36
PYCR1 P32322 1/20 0.36
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
MAPT P10636 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DDR1 Q08345 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.33
FPR2 P25090 1/20 0.32
MAPK14 Q16539 1/20 0.31
USP2 O75604 1/20 0.31
PKM P14618 1/20 0.31
SLC6A4 P31645 1/20 0.31
APLNR P35414 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5176206 0.85 POLB (0.43) POLBDGAT1PYCR1KDM1AKDM1B
SCHEMBL29722933 0.79 DDR1 (0.38) HTR2AHTR2CHTR2BDDR1CA2
SCHEMBL779536 0.79 DDR1 (0.38) HTR2AHTR2CHTR2BDDR1CA2
SCHEMBL8847132 0.79 MAPT (0.40) POLBMAPTCA2PKMLMNA
SCHEMBL25302556 0.78 PKM (0.43) POLBPYCR1MAPTDDR1SMN1; SMN2
SCHEMBL13461857 0.78 NPC1 (0.37) MAPTHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL2065678 0.77 DDR1 (0.42) KDM1AMAPTHTR2AHTR2CHTR2B
SCHEMBL29504598 0.77 DGAT1 (0.39) POLBDGAT1PYCR1KDM1AKDM1B
SCHEMBL1581643 0.77 DGAT1 (0.39) POLBDGAT1PYCR1KDM1AKDM1B
SCHEMBL12069928 0.77 ALDH1A1 (0.44) POLBCA2PKMSLC6A4APLNR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 WO disclosed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP POLB 2392/4885DGAT1 3008/4885PYCR1 2780/4885

“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.