Sugi Predict

Sugi Predict / Compounds / SCHEMBL2642459

SCHEMBL2642459

SCHEMBL2642459

CCNc1cccc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.47
▸ PNMT P11086 1/20 0.45
▸ ENPP2 Q13822 1/20 0.45
▸ LOXL2 Q9Y4K0 3/20 0.44
▸ NOS1 P29475 4/20 0.42
▸ NOS2 P35228 4/20 0.42
▸ CFD P00746 2/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NOS3 P29474 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ BPTF Q12830 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 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
SCHEMBL24450883 0.85 CYP3A4 (0.46) HTR6PNMTENPP2LOXL2NOS1
SCHEMBL5144284 0.83 RAPGEF4 (0.53) THRATHRBALDH1A1SMN1; SMN2GRIN2D
SCHEMBL28848114 0.82 F2R (0.45) HTR6PNMTENPP2LOXL2ALDH1A1
SCHEMBL3363357 0.80 MAPT (0.50) THRATHRBALDH1A1CYP3A4
SCHEMBL27501564 0.80 HTR6 (0.47) HTR6PNMTENPP2LOXL2CFD
SCHEMBL7686927 0.80 THRA (0.44) THRATHRBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2642456 0.80 THRA (0.41) THRATHRBSMN1; SMN2CYP3A4GRIN2D
SCHEMBL3103338 0.80 PDK1 (0.46) ENPP2THRATHRBALDH1A1CYP3A4
SCHEMBL9782318 0.79 HTR6 (0.47) HTR6PNMTENPP2LOXL2CFD
SCHEMBL28824599 0.79 HTR6 (0.44) HTR6PNMTENPP2LOXL2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709309-A The manufacture method of fluorine-containing cyclopropane carboxylic acid acids 中央硝子株式会社 2018-02-16 — — CN disclosed
CN-105189477-A Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof BASF SE 2015-12-23 — — CN disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — 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
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 — — EP disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 — — US disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — WO 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
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — EP disclosed
CN-1177824-C Hydroxyformamidine derivatives and drugs containing the same ������ҩ��ʽ���� 2004-12-01 — — CN disclosed
CN-1436173-A Hydroxyformamidine derivatives and drugs containing the same TAISHO PHARMACEUTICAL CO LTD (JP) 2003-08-13 — — CN 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 (4 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 HTR6 1580/4885PNMT 2000/4885ENPP2 662/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HTR6 3574/4885PNMT 4761/4885ENPP2 1848/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 HTR6 3549/4885PNMT 4768/4885ENPP2 1840/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 HTR6 3574/4885PNMT 4761/4885ENPP2 1848/4885

“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.