SCHEMBL19176901

SCHEMBL19176901

Cc1sc(-c2ncco2)nc1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
KDM1A O60341 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
APEX1 P27695 1/20 0.38
NPY5R Q15761 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL17054248 0.87 MAPK14 (0.42) KMT2A
SCHEMBL19169550 0.84 CNR2 (0.39) CNR2KMT2AADORA3CYP19A1CYP1A1
SCHEMBL17055600 0.84 APEX1 (0.49) HRH3LMNACYP1A1CYP1A2CYP1B1
SCHEMBL17054245 0.84 RARA (0.49) KMT2ACYP1A1CYP1A2CYP1B1APEX1
SCHEMBL18557581 0.82 TDO2 (0.39) CNR2CYP19A1NPY5R
SCHEMBL17054246 0.79 RARA (0.40) LMNACYP1A2APEX1
SCHEMBL9954348 0.76 PTGS1 (0.49) KDM1AKMT2AADORA3PTGS1PTGS2
SCHEMBL9510731 0.76 NOTUM (0.54) CNR2
SCHEMBL2091654 0.73 KDM1A (0.48) KDM1AKMT2AADORA3PTGS1PTGS2
SCHEMBL1458844 0.73 ORAI1 (0.39) APEX1

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-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CNR2 465/4885KDM1A 108/4885KMT2A 225/4885

“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.