SCHEMBL4772912

SCHEMBL4772912

NC(=O)c1ccccc1-c1nc[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
BCAT2 O15382 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NUDT1 P36639 1/20 0.44
GRM5 P41594 1/20 0.43
PARP1 P09874 3/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
METAP2 P50579 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL14321366 0.83 KDM4C (0.47) CSNK1A1TYRO3DYRK1BGRM5MAPT
SCHEMBL251450 0.77 PARP1 (0.45) CSNK1A1TYRO3DYRK1BBCAT2GRM5
SCHEMBL31227695 0.77 CSNK1A1 (0.57) CSNK1A1TYRO3DYRK1BBCAT2NPC1
SCHEMBL997870 0.77 CSNK1A1 (0.57) CSNK1A1TYRO3DYRK1BBCAT2NPC1
SCHEMBL2653334 0.73 ALDH1A1 (0.61) CSNK1A1TYRO3DYRK1BBCAT2NPC1
SCHEMBL30675982 0.73 ALDH1A1 (0.61) CSNK1A1TYRO3DYRK1BBCAT2NPC1
SCHEMBL251448 0.73 PARP1 (0.44) CSNK1A1TYRO3DYRK1BBCAT2NPC1
SCHEMBL30514077 0.73 BCAT2 (0.74) CSNK1A1TYRO3DYRK1BBCAT2NPC1
SCHEMBL210767 0.73 BCAT2 (0.74) CSNK1A1TYRO3DYRK1BBCAT2NPC1
SCHEMBL15125436 0.73 GAA (0.52) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058694-A Contain 1,2, the Herbicidal combinations of 4-triazole-3-formamide and control method for weed with said composition KUREHA CHEMICAL IND CO LTD (JP) 1992-02-19 CN claimed
CN-86108483-A 1. 2, 4-triazole-3-carboxamide compound, preparation method thereof and herbicidal composition containing same 1987-09-16 CN claimed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 EP disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US disclosed
CN-1454086-A High affinity small molecule C5A receptor modulators NEUROGEN CORP (US) 2003-11-05 CN disclosed
EP-1322309-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 WO disclosed
CN-1058694-A Contain 1,2, the Herbicidal combinations of 4-triazole-3-formamide and control method for weed with said composition KUREHA CHEMICAL IND CO LTD (JP) 1992-02-19 CN disclosed
CN-1015455-B Process for producing 1, 2, 4-triazole-3-carboxamide compound KUREHA CHEMICAL IND CO LTD (JP) 1992-02-12 CN disclosed
CN-86108483-A 1. 2, 4-triazole-3-carboxamide compound, preparation method thereof and herbicidal composition containing same 1987-09-16 CN disclosed
CN-86108483-A 1. 2, 4-triazole-3-carboxamide compound, preparation method thereof and herbicidal composition containing same 1987-09-16 CN 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 (1 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 CSNK1A1 4171/4885TYRO3 222/4885DYRK1B 2632/4885

“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.