SCHEMBL2628070

SCHEMBL2628070

Cc1nc2c(o1)-c1ccccc1N(C(=O)c1ccc(CNCl)c(C)c1)CC2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.52
CD274 Q9NZQ7 4/20 0.52
AVPR2 P30518 16/20 0.47

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
SCHEMBL2616280 0.89 PDCD1 (0.49) PDCD1CD274AVPR2
Hydrochloric Acid SCHEMBL2129494 0.88 PDCD1 (0.48) PDCD1CD274AVPR2
SCHEMBL2129539 0.87 AVPR2 (0.49) PDCD1CD274AVPR2
SCHEMBL2130987 0.86 AVPR2 (0.51) PDCD1CD274AVPR2
SCHEMBL2703870 0.83 PDCD1 (0.42) PDCD1CD274AVPR2
SCHEMBL27789716 0.83 PDCD1 (0.44) PDCD1CD274AVPR2
SCHEMBL2704506 0.81 AVPR2 (0.44) PDCD1CD274AVPR2
SCHEMBL1495876 0.80 ALDH1A1 (0.49) PDCD1CD274AVPR2
SCHEMBL2128410 0.80 AVPR2 (0.43) PDCD1CD274AVPR2
SCHEMBL2705389 0.80 AVPR2 (0.42) PDCD1CD274AVPR2

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-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B PDCD1 4512/4885CD274 4028/4885AVPR2 2/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B PDCD1 4512/4885CD274 4028/4885AVPR2 2/4885

“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.