SCHEMBL3094867

SCHEMBL3094867

Nc1ccc(-n2ccccc2=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PDE10A Q9Y233 1/20 0.34
F10 P00742 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL30570008 0.79 F10 (0.44) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8149619 0.79 F10 (0.44) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3100938 0.79 CA12 (0.37) HRH4CA12CA1CA2CA9
SCHEMBL2646356 0.79 ESR1 (0.44) HRH4CA12CA1CA2CA9
SCHEMBL31068118 0.79 ALDH1A1 (0.43) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24185902 0.79 ALDH1A1 (0.43) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18708822 0.79 HRH4 (0.43) HRH4CA12CA1CA2CA9
SCHEMBL4745226 0.76 LMNA (0.54) EGLN1F10MAPT
SCHEMBL85643 0.74 MEN1 (0.52) SMN1; SMN2MAPTMEN1KMT2AMCHR1
SCHEMBL30052176 0.74 EP300 (0.50) HRH4CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-4225715-A Preparation of 3-amino(or carbamyl)-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1980-09-30 US disclosed
US-4137233-A 1,2-Dihydro-2-oxo-5-(pyridinyl)nicotinamides STERLING DRUG INC. (US) 1979-01-30 US disclosed
US-4107315-A 5-(Pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1978-08-15 US disclosed
US-4072746-A CARDIOTONIC AGENTS STERLING DRUG INC. (US) 1978-02-07 US disclosed
US-4004012-A 3-Cyano-5-(pyridinyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1977-01-18 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 HRH4 2050/4885GRIN2D 4536/4885GRIN3B 3326/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HRH4 2050/4885GRIN2D 4536/4885GRIN3B 3326/4885

“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.