SCHEMBL1102316

SCHEMBL1102316

N#Cc1ccc2c(Cl)nnc(Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.51
CASP1 P29466 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
VCAM1 P19320 1/20 0.38
CHUK O15111 1/20 0.38
MIF P14174 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
HPGD P15428 1/20 0.34
MPI P34949 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL31719497 1.00 PDE5A (0.51) PDE5ACASP1CA1CA2VCAM1
SCHEMBL5427052 0.79 PDE5A (0.36) PDE5ACASP1ALDH1A1
SCHEMBL31266461 0.75 MAOB (0.49) PDE5AMAOBALDH1A1LMNANPSR1
SCHEMBL13074276 0.74 CA2 (0.43) CA1CA2CHUKALDH1A1
SCHEMBL31719573 0.74 PDE5A (0.61) PDE5A
SCHEMBL7985449 0.74 PDE5A (0.65) PDE5A
SCHEMBL20116697 0.71 ALDH1A1 (0.43) PDE5ACA1CA2CHUKALDH1A1
SCHEMBL30506249 0.71 ALDH1A1 (0.43) PDE5ACA1CA2CHUKALDH1A1
SCHEMBL31146783 0.70 PDE5A (0.42) PDE5AALDH1A1LMNAMAPT
SCHEMBL3601771 0.70 PDE5A (0.42) PDE5AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140824-A1 PYRIDAZINE NLRP3 INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 长春金赛药业有限责任公司 2024-07-04 WO disclosed
EP-2170866-B1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC (US) 2014-08-13 EP disclosed
EP-2170866-B1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC (US) 2014-08-13 EP disclosed
US-8153633-B2 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2012-04-10 US disclosed
US-8153633-B2 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2012-04-10 US disclosed
US-20090048259-A1 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2009-02-19 US disclosed
US-20090048259-A1 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2009-02-19 US disclosed
US-20090048259-A1 Phthalazine compounds, compositions and methods of use AMGEN INC. (US) 2009-02-19 US disclosed
WO-2009002469-A1 PHTHALAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2008-12-31 WO disclosed
CN-1210265-C Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2005-07-13 CN disclosed
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
US-6288064-B1 PHOSPHODIESTERASE INHIBITORS; PHTHALAZINE DERIVATIVES EISAI CO., LTD. (JP) 2001-09-11 US disclosed
US-6218392-B1 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, MYOCARDIAL INFARCT AND CHRONIC AND ACUTE CARDIAC FAILURE, PULMONARY HYPERTENSION, ARTERIOSCLEROSIS AND BRONCHIAL ASTHMA EISAI CO., LTD. (JP) 2001-04-17 US disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
CN-1275124-A Phthalazine derivatives and remedies for erectile dysfunction EISAI CO LTD (JP) 2000-11-29 CN disclosed
EP-0920868-A1 REMEDY FOR ERECTION FAILURE COMPRISING FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1999-06-09 EP disclosed
US-5849741-A Fused pyridazine compounds EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 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 (2 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-20090048259-A1 Phthalazine compounds, compositions and methods of use VHL, HDAC5, SUZ12 PDE5A 1148/4885CASP1 1415/4885CA1 938/4885
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 PDE5A 4/4885CASP1 719/4885CA1 1626/4885

“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.