SCHEMBL20164955

SCHEMBL20164955

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.51
JAK3 P52333 1/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL18138200 0.86 JAK2 (0.53) JAK2JAK3KDM4EALDH1A1HPGD
SCHEMBL18132112 0.84 JAK2 (0.71) JAK2JAK3KDM4EALDH1A1
SCHEMBL3610664 0.84 JAK2 (0.52) JAK2JAK3
SCHEMBL18132129 0.84 JAK2 (0.52) JAK2JAK3
SCHEMBL3607833 0.80 JAK2 (0.59) JAK2JAK3
SCHEMBL24303585 0.78 KDM4E (0.59) KDM4EALDH1A1THRBHPGD
SCHEMBL30844879 0.78 KDM4E (0.59) KDM4EALDH1A1THRBHPGD
SCHEMBL28603330 0.78 AURKA (0.49) KDM4EALDH1A1THRBHPGD
SCHEMBL18138214 0.78 DYRK1A (0.47) JAK2JAK3
SCHEMBL18132018 0.77 JAK2 (0.56) JAK2JAK3KDM4EALDH1A1

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 2 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

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.