SCHEMBL18132001

SCHEMBL18132001

O=C(O)c1cnc(Cl)c2c1[nH]c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
PBRM1 Q86U86 2/20 0.49
JAK2 O60674 1/20 0.46
GABRP O00591 4/20 0.44
GABRD O14764 4/20 0.44
GABRA1 P14867 4/20 0.44
GABRB1 P18505 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRA4 P48169 4/20 0.44
GABRE P78334 4/20 0.44
GABRA6 Q16445 4/20 0.44
GABRG1 Q8N1C3 4/20 0.44
GABRG3 Q99928 4/20 0.44
GABRQ Q9UN88 4/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL18131976 0.88 JAK2 (0.46) DYRK1AJAK2GABRPGABRDGABRA1
SCHEMBL3607833 0.87 JAK2 (0.59) DYRK1AJAK2BTK
SCHEMBL3612956 0.83 NR4A2 (0.51) JAK2GABRPGABRDGABRA1GABRB1
SCHEMBL10476463 0.83 JAK2 (0.45) DYRK1AJAK2GABRPGABRDGABRA1
SCHEMBL20164978 0.81 GPR17 (0.43) JAK2KMT2A
SCHEMBL18132018 0.81 JAK2 (0.56) JAK2KDM4E
SCHEMBL11733230 0.79 PBRM1 (0.59) DYRK1APBRM1GABRPGABRDGABRA1
SCHEMBL5821750 0.77 MEN1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13503482 0.77 GABRA1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18132109 0.77 GABRA1 (0.44) DYRK1AGABRPGABRDGABRA1GABRB1

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 8 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
US-20180141962-A1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 US 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-2016161570-A1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
WO-2016164284-A1 AZACARBAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO 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 DYRK1A 101/4885PBRM1 2356/4885JAK2 6/4885

“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.