SCHEMBL4829960

SCHEMBL4829960

Cc1cc(NCc2ccc(Cl)c(OCCN(C)C)c2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.56
HTR6 P50406 1/20 0.48
UTS2R Q9UKP6 3/20 0.45
CD38 P28907 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ACP1 P24666 2/20 0.42
SLC2A1 P11166 1/20 0.41
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL4832245 0.84 NCF1 (0.52) NCF1UTS2RKMT2AKDM4E
SCHEMBL8105729 0.81 CD38 (0.59) NCF1HTR6CD38SLC2A1
Hydrochloric Acid SCHEMBL3062395 0.80 CD38 (0.58) NCF1HTR6CD38SLC2A1
SCHEMBL3059015 0.80 CD38 (0.61) NCF1CD38CYP2C19MEN1KMT2A
SCHEMBL4632716 0.79 IGF1R (0.56) NCF1UTS2RMEN1KMT2AKDM4E
SCHEMBL14288479 0.78 HTT (0.52) NCF1MEN1KMT2AKDM4E
SCHEMBL4834020 0.78 NCF1 (0.52) NCF1KMT2AKDM4E
SCHEMBL4829967 0.76 NCF1 (0.42) NCF1HTR6UTS2RMEN1KMT2A
SCHEMBL4834067 0.76 NCF1 (0.53) NCF1KDM4E
SCHEMBL3056723 0.75 ACP1 (0.62) NCF1CD38CYP2C19MEN1KMT2A

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-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NCF1 1285/4885HTR6 618/4885UTS2R 1/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NCF1 1285/4885HTR6 618/4885UTS2R 1/4885

“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.