SCHEMBL4158436

SCHEMBL4158436

NC1=Nc2ccc(F)cc2C[N]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.41
NOS3 P29474 4/20 0.38
NOS2 P35228 3/20 0.38
NOS1 P29475 2/20 0.38
ALDH1A1 P00352 2/20 0.33
EGFR P00533 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL4155203 0.85 HTR5A (0.41) HTR5ANOS3NOS2NOS1ALDH1A1
SCHEMBL3655907 0.78 NOS3 (0.41) HTR5ANOS3NOS2NOS1ALDH1A1
SCHEMBL3655768 0.68 NOS3 (0.39) HTR5ANOS3NOS2NOS1ALDH1A1
SCHEMBL3655765 0.68 NOS3 (0.39) HTR5ANOS3NOS2NOS1ALDH1A1
SCHEMBL3651633 0.65 HTR5A (0.36) HTR5ANOS3NOS2NOS1EGFR
SCHEMBL1091468 0.64 KMT2A (0.34) HTR5ANOS3NOS2NOS1ROCK1
SCHEMBL29532247 0.64 EGFR (0.36) HTR5ANOS3NOS2NOS1EGFR
SCHEMBL30089866 0.62 NPC1 (0.38) HTR5ANOS3NOS2NOS1ALDH1A1
SCHEMBL211270 0.62 KMT2A (0.36) HTR5ANOS3NOS2NOS1ACHE
SCHEMBL23298972 0.61 CYP17A1 (0.37) NOS3NOS2ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US claimed
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 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-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR HTR5A 119/4885NOS3 4270/4885NOS2 4467/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR HTR5A 119/4885NOS3 4270/4885NOS2 4467/4885

“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.