SCHEMBL4018773

SCHEMBL4018773

N=C(N)NCc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
IDO1 P14902 5/20 0.52
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
Sulfuric Acid SCHEMBL11344598 0.91 CYP2C9 (0.61) CYP2C9CYP2C19MEN1KMT2AIDO1
SCHEMBL3672272 0.89 CYP2C9 (0.48) CYP2C9CYP2C19MEN1KMT2AALDH1A1
SCHEMBL17894482 0.85 MAOB (0.57) CYP2C9CYP2C19KMT2ANPC1RAB9A
SCHEMBL1040794 0.85 CYP2C9 (0.58) CYP2C9CYP2C19MEN1KMT2AIDO1
Hydrochloric Acid SCHEMBL9666366 0.83 CYP2C9 (0.56) CYP2C9CYP2C19MEN1KMT2AIDO1
SCHEMBL6881703 0.81 CYP2C9 (0.42) CYP2C9CYP2C19MEN1KMT2AALOX12
SCHEMBL4103299 0.81 ABAT (0.44) CYP2C9CYP2C19MEN1KMT2AIDO1
SCHEMBL14686209 0.81 TPSAB1 (0.59) CYP2C9CYP2C19
SCHEMBL6881708 0.81 EPHX2 (0.45) CYP2C9CYP2C19ALDH1A1
SCHEMBL10592089 0.80 CYP2C9 (0.56) CYP2C9CYP2C19MEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 WO disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 WO disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
US-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 WO disclosed
EP-1463730-B1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP 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-20050090507-A1 Pyrazolopyridazine derivatves CDK4, CDK3, CDK8 CYP2C9 2654/4885CYP2C19 1882/4885MEN1 1597/4885
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS CYP2C9 4617/4885CYP2C19 4650/4885MEN1 1416/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS CYP2C9 4617/4885CYP2C19 4650/4885MEN1 1416/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CYP2C9 2007/4885CYP2C19 2344/4885MEN1 3198/4885

“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.