SCHEMBL18132018

SCHEMBL18132018

O=C(O)c1cnc(Cl)c2c1[nH]c1ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.56
JAK3 P52333 1/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL18132112 0.88 JAK2 (0.71) JAK2JAK3KDM4EALDH1A1MAPT
SCHEMBL20164967 0.86 JAK2 (0.58) JAK2JAK3KDM4EALDH1A1MAPT
SCHEMBL18132001 0.81 DYRK1A (0.50) JAK2KDM4E
SCHEMBL13819048 0.80 KDM4E (0.52) JAK2JAK3KDM4EALDH1A1MAPT
SCHEMBL3621428 0.80 KDM4E (0.52) JAK2JAK3KDM4EALDH1A1MAPT
SCHEMBL20164955 0.77 JAK2 (0.51) JAK2JAK3KDM4EALDH1A1
SCHEMBL3507477 0.76 DYRK1A (0.55) JAK2JAK3KDM4EALDH1A1MAPT
SCHEMBL20164978 0.76 GPR17 (0.43) JAK2
SCHEMBL3614269 0.75 JAK2 (0.71) JAK2JAK3
SCHEMBL20164954 0.73 JAK2 (0.58) JAK2JAK3

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-3280418-B1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2020-05-06 EP disclosed
US-20180141962-A1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 US disclosed
EP-3280418-A1 AZACARBAZOLE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-14 EP disclosed
WO-2016164284-A1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO 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-20180141962-A1 AZACARBAZOLE BTK INHIBITORS BTK, SYK, LYN JAK2 6/4885JAK3 152/4885KDM4E 274/4885

“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.