SCHEMBL14107495

SCHEMBL14107495

O=c1[nH]c(-c2ccccc2)nc2c1CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
TNKS2 Q9H2K2 7/20 0.46
TNKS O95271 4/20 0.46
MTHFD2 P13995 4/20 0.46
PARP1 P09874 3/20 0.46
WNT3A P56704 5/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PARP2 Q9UGN5 1/20 0.42
RNASEH1 O60930 1/20 0.42

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
SCHEMBL14344503 0.88 MTHFD2 (0.49) HTR2CTNKS2TNKSMTHFD2PARP1
SCHEMBL1033822 0.83 TNKS2 (0.55) TNKS2TNKSMTHFD2PARP1WNT3A
SCHEMBL1032502 0.80 TNKS2 (0.68) TNKS2TNKSMTHFD2PARP1WNT3A
SCHEMBL9070566 0.80 TNKS (0.63) TNKS2TNKSMTHFD2PARP1WNT3A
SCHEMBL8319716 0.78 PDCD1 (0.53) HTR2CALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4760135 0.77 PDCD1 (0.52) HTR2CALDH1A1KMT2AMEN1MAPT
SCHEMBL23973136 0.77 HTR2C (0.44) HTR2CTNKS2TNKSPARP1ALDH1A1
SCHEMBL12492799 0.75 PDCD1 (0.68) HTR2CALDH1A1KMT2AMEN1MAPT
SCHEMBL8262655 0.73 MEN1 (0.46) TNKS2TNKSMTHFD2PARP1WNT3A
SCHEMBL7783581 0.72 TNKS2 (0.70) TNKS2TNKSMTHFD2PARP1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS, INC. 2007-12-20 US disclosed
US-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS, INC. 2007-12-20 US disclosed
US-7232824-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2007-06-19 US disclosed
US-7232824-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2007-06-19 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-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SMAD3, SMAD2, TGFB2 HTR2C 798/4885TNKS2 1309/4885TNKS 1360/4885

“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.