SCHEMBL17178231

SCHEMBL17178231

COc1ccc(-c2ccc(N)nc2C)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 2/20 0.55
NCF1 P14598 1/20 0.49
NPC1 O15118 2/20 0.42
CDC7 O00311 1/20 0.40
CCNT1 O60563 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CDK9 P50750 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CRHR1 P34998 4/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL17178279 0.84 NCF1 (0.51) HSP90AA1HSP90AB1NCF1NPC1CRHR1
SCHEMBL17174314 0.84 HSP90AA1 (0.39) HSP90AA1HSP90AB1NCF1CRHR1NOS3
SCHEMBL15698789 0.83 ALDH1A1 (0.54) NCF1NPC1CDC7CRHR1P2RX3
SCHEMBL12325069 0.79 HSP90AA1 (0.56) HSP90AA1HSP90AB1CRHR1MEN1KMT2A
SCHEMBL4508342 0.78 HSD11B1 (0.44) HSP90AA1HSP90AB1NPC1NOS3NOS1
SCHEMBL15698724 0.78 ESR1 (0.53) NOS3NOS1NOS2
SCHEMBL1528907 0.77 KMT2A (0.49) NCF1NPC1NOS3NOS1NOS2
SCHEMBL17178299 0.77 HSP90AA1 (0.50) HSP90AA1HSP90AB1NPC1CDC7CCNT1
SCHEMBL14055298 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1NPC1MEN1KMT2A
SCHEMBL20595575 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1MEN1KMT2A

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
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 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 (2 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-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 HSP90AA1 3232/4885HSP90AB1 2512/4885NCF1 1435/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 HSP90AA1 1700/4885HSP90AB1 1225/4885NCF1 1993/4885

“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.