SCHEMBL3753128

SCHEMBL3753128

O=c1[nH]nccc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.47
BTK Q06187 1/20 0.47
LMNA P02545 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HIF1A Q16665 2/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
CHEK1 O14757 1/20 0.46
TGFBR1 P36897 3/20 0.44
MAPK14 Q16539 2/20 0.44
BRD4 O60885 1/20 0.42
METAP2 P50579 1/20 0.42
NPC1 O15118 4/20 0.41

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
SCHEMBL3001981 0.79 BRD4 (0.37) PRKCIBTKBLMBRD4ALDH1A1
SCHEMBL1456892 0.77 HCAR2 (0.41) PRKCILMNAPOLBALDH1A1TDP1
SCHEMBL14446919 0.76 BTK (0.46) PRKCIBTKLMNAKDM4EHIF1A
SCHEMBL16556061 0.76 TGFBR1 (0.53) PRKCIBTKLMNAHIF1ACHEK1
SCHEMBL3390607 0.75 BTK (0.45) PRKCIBTKLMNAKDM4EHIF1A
SCHEMBL918364 0.75 SCN4A (0.52) BTKLMNACYP1A2TGFBR1METAP2
SCHEMBL2096438 0.74 PRKCI (0.47) PRKCIBTKLMNAKDM4EHIF1A
SCHEMBL29487831 0.74 KDM4E (0.56) BTKLMNAKDM4EHIF1ACCR1
SCHEMBL1703342 0.74 KDM4E (0.56) BTKLMNAKDM4EHIF1ACCR1
SCHEMBL7264282 0.74 TGFBR1 (0.59) BTKLMNACYP1A2TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024260309-A1 THR-β RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE METHOD THEREFOR 西威埃医药技术(上海)有限公司 2024-12-26 WO claimed
US-5994540-A HYDROXY- AND CHLORO-PYRIDYLPYRIDAZINONE DERIVATIVES LONZA, LTD. (CH) 1999-11-30 US claimed
WO-2024260309-A1 THR-β RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE METHOD THEREFOR 西威埃医药技术(上海)有限公司 2024-12-26 WO disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
EP-2069345-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-06-17 EP disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO disclosed
WO-2005106006-A2 BIOTRANSFORMATION OF NICOTINIC ACID TO 6-HYDROXYNICOTINIC ACID JUBILANT ORGANOSYS LIMITED (IN) 2005-11-10 WO disclosed
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 US disclosed
WO-2004022540-A2 PYRIDAZINONE AND PYRIDONE DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-18 WO disclosed
US-4954494-A Cardiotonic and inotropic agents RORER PHARMACEUTICAL CORPORATION (US) 1990-09-04 US disclosed
WO-1989008108-A1 PYRIDYL-PYRIDAZINONE AND PYRIDYL-PYRAZOLINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONGESTIVE HEART FAILURE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-09-08 WO disclosed
US-4826835-A INOTROPIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-05-02 US disclosed
US-4783463-A Pyridyl-pyridazinone and pyridyl-pyrazolinone compounds and their use in the treatment of congestive heart failure RORER PHARMACEUTICAL CORPORATION (US) 1988-11-08 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 (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-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP PRKCI 1230/4885BTK 872/4885LMNA 4332/4885
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 PRKCI 3374/4885BTK 3451/4885LMNA 1052/4885

“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.