SCHEMBL1477486

SCHEMBL1477486

Cc1nc(=O)c2nc(Cl)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PDE2A O00408 2/20 0.40
PARP1 P09874 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
ADRB2 P07550 1/20 0.37
LMNA P02545 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL826248 0.80 NUDT1 (0.41) ALDH1A1PDE2APARP1SIRT2SMN1; SMN2
SCHEMBL17479628 0.76 LMNA (0.54) ALDH1A1HTTPDE2ASIRT2LMNA
SCHEMBL31624045 0.75 TYRO3 (0.46) ALDH1A1HTTPARP1LMNAPIM1
SCHEMBL6299123 0.75 ALDH1A1 (0.44) ALDH1A1HTTPARP1SIRT2ADRB2
Hydrochloric Acid SCHEMBL31623899 0.74 TYRO3 (0.45) ALDH1A1HTTPARP1SMN1; SMN2
SCHEMBL1477487 0.73 PARP1 (0.50) ALDH1A1PARP1LMNASMN1; SMN2
SCHEMBL29560266 0.73 PARP1 (0.50) ALDH1A1PARP1LMNASMN1; SMN2
SCHEMBL13594653 0.73 ADRB2 (0.52) ALDH1A1HTTPARP1ADRB2PDE1A
SCHEMBL1790858 0.72 KDM4E (0.41) ALDH1A1PDE2APARP1SIRT2LMNA
SCHEMBL5313770 0.71 LMNA (0.57) ALDH1A1LMNAPIM1PIM2SMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144740-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2010-06-10 US claimed
EP-2178562-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP claimed
WO-2009010529-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO claimed
US-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain CULSHAW ANDREW JAMES (GB) 2004-07-15 US claimed
EP-1377576-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2004-01-07 EP claimed
WO-2002076946-A2 FUSED PYRIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR ANTAGONISTS FOR TREATING PAIN. NOVARTIS AG (CH) 2002-10-03 WO claimed
US-8618120-B2 Synergistic combinations of VR-1 antagonists and COX-2 inhibitors NOVARTIS AG (CH) 2013-12-31 US disclosed
US-7915264-B2 Drugs for treating pain formed by arylation NOVARTIS AG (CH) 2011-03-29 US disclosed
US-20100144740-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2010-06-10 US disclosed
EP-2178562-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
WO-2009010529-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
US-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 US disclosed
US-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain CULSHAW ANDREW JAMES (GB) 2004-07-15 US disclosed
EP-1377576-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2004-01-07 EP disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 US disclosed
WO-2002076946-A2 FUSED PYRIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR ANTAGONISTS FOR TREATING PAIN. NOVARTIS AG (CH) 2002-10-03 WO disclosed
US-6420370-B1 ANTITUMOR, ANTIBIOTIC, ANTIMALARIAL, ANTIFUNGAL OR ANTIPROTOZOAL AGENTS, OR AS SYNERGISTIC AGENTS ENZYME INHIBITORS DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-07-16 US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 US disclosed
US-6103727-A RESISTING AND TREATING PNEUNOCYSTIS CARINII AND TOXOPLASMOSIS GONDII INFECTIONS IN IMMUNOCOMPROMISED PATIENTS; AUTOMIMMUNE DISEASES; AIDS; ANTICARCINOGENIC,-TUMOR,-PROTAZOA AGENTS; MALARIA; FUNGICIDES; SYNERGISTIC WITH SULFONAMIDES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-08-15 US disclosed
US-6096750-A Furopyrimidines and methods of making and using the same derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2000-08-01 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 (3 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-20040138454-A1 Fused pyridine derivatives for use as vanilloid receptor antagonists for treating pain TRPV1, OPRL1, OPRK1 ALDH1A1 729/4885HTT 4551/4885PDE2A 1341/4885
US-20100144740-A1 SYNERGISTIC COMBINATIONS OF VR-1 ANTAGONISTS AND COX-2 INHIBITORS TRPV2, TRPV1, TRPV3 ALDH1A1 1168/4885HTT 4222/4885PDE2A 1692/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD ALDH1A1 1172/4885HTT 4375/4885PDE2A 1317/4885

“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.