SCHEMBL509510

SCHEMBL509510

NCc1cncc(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.49
CYP11B1 P15538 1/20 0.49
SIRT2 Q8IXJ6 6/20 0.42
SIRT1 Q96EB6 6/20 0.42
SIRT3 Q9NTG7 6/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PLAU P00749 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
RAF1 P04049 1/20 0.40
PKMYT1 Q99640 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL1244630 0.84 KDM4E (0.57) CYP11B2CYP11B1MKNK1MKNK2KDM4E
SCHEMBL18340498 0.84 CYP11B2 (0.49) CYP11B2CYP11B1SIRT2SIRT1SIRT3
SCHEMBL7666563 0.84 CYP11B1 (0.49) CYP11B2CYP11B1SIRT2SIRT1SIRT3
SCHEMBL28999567 0.82 CYP11B1 (0.48) CYP11B2CYP11B1SIRT2SIRT1SIRT3
SCHEMBL31046827 0.82 SMYD3 (0.52) CYP11B2CYP11B1SIRT2SIRT1SIRT3
SCHEMBL9607829 0.82 SMYD3 (0.52) CYP11B2CYP11B1SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL29793528 0.81 SMYD3 (0.51) CYP11B2CYP11B1SIRT2SIRT1SIRT3
SCHEMBL30827012 0.81 CYP11B1 (0.47) CYP11B2CYP11B1SIRT2SIRT1SIRT3
SCHEMBL2841794 0.80 SIRT2 (0.54) CYP11B2CYP11B1SIRT2SIRT1SIRT3
SCHEMBL4267083 0.79 SMYD3 (0.47) CYP11B2SIRT2SIRT1SIRT3MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
CN-1514828-A Pyrazole derivatives for treating HIV 2004-07-21 CN disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 CYP11B2 1894/4885CYP11B1 1404/4885SIRT2 2431/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 CYP11B2 960/4885CYP11B1 656/4885SIRT2 3961/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CYP11B2 544/4885CYP11B1 417/4885SIRT2 3912/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP11B2 415/4885CYP11B1 158/4885SIRT2 4197/4885

“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.