SCHEMBL18181863

SCHEMBL18181863

Cc1cnc(Oc2ccccc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HTT P42858 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LOXL2 Q9Y4K0 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LTA4H P09960 2/20 0.44

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
SCHEMBL16792635 0.84 UHRF1 (0.46) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14015136 0.84 LOXL2 (0.45) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL29693800 0.84 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL16792742 0.80 LOXL2 (0.42) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL20041024 0.79 L3MBTL1 (0.41) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL1414076 0.77 PIN1 (0.51) ALDH1A1HSD17B10SMN1; SMN2RAB9ACYP1A2
SCHEMBL11814009 0.76 PTGS1 (0.49) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL14015138 0.75 HTT (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL11823631 0.75 AKR1C3 (0.45) CYP1A2CYP2C9LMNATSHR
SCHEMBL22530482 0.75 MAPT (0.45) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2

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-2023156599-A1 SYNTHESIS OF BRUTON'S TYROSINE KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-08-24 — — WO disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 — — US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 — — 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-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ALDH1A1 3964/4885HPGD 3395/4885KDM4E 1663/4885

“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.

Send feedback