SCHEMBL4999700

SCHEMBL4999700

NCc1cccc2c1CCN2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.41
NOTUM Q6P988 1/20 0.40
BRD4 O60885 3/20 0.36
PARP1 P09874 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PKM P14618 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL14525202 0.85 PARP1 (0.40) NOTUMBRD4PARP1
SCHEMBL3884626 0.81 NOTUM (0.40) NOTUMBRD4PARP1BCHEACHE
SCHEMBL22175660 0.81 NOTUM (0.40) NOTUMBRD4PARP1BCHEACHE
SCHEMBL29974199 0.81 NOTUM (0.40) NOTUMBRD4PARP1BCHEACHE
SCHEMBL5542232 0.81 NOTUM (0.44) NOTUMBRD4PARP1HCRTR1HCRTR2
SCHEMBL5535553 0.81 NOTUM (0.40) NOTUMBRD4PARP1PKMHCRTR1
SCHEMBL24654698 0.78 NOTUM (0.38) NOTUMBRD4PKMHCRTR1HCRTR2
SCHEMBL14234870 0.78 CDK2 (0.44) NOTUMBRD4PARP1PKMHCRTR1
SCHEMBL29612141 0.78 NOTUM (0.38) NOTUMBRD4PKMHCRTR1HCRTR2
SCHEMBL5537287 0.78 NOTUM (0.38) NOTUMBRD4PARP1PKMHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 PNMT 2000/4885NOTUM 2505/4885BRD4 3406/4885

“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.