Sugi Predict

Sugi Predict / Compounds / SCHEMBL3817890

SCHEMBL3817890

SCHEMBL3817890

Nc1nc(=O)[nH]c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.49
▸ NUDT1 P36639 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.43
▸ DHFR P00374 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ FGFR1 P11362 2/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ PLAUR Q03405 1/20 0.40
▸ KCNMA1 Q12791 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GMNN O75496 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
SCHEMBL2303102 0.79 PARP1 (0.49) PARP1NUDT1KDM4EADORA3ADORA2A
SCHEMBL28893532 0.79 PARP1 (0.49) PARP1NUDT1KDM4EADORA3ADORA2A
SCHEMBL28986906 0.79 PARP1 (0.49) PARP1NUDT1KDM4EADORA3ADORA2A
SCHEMBL1983703 0.79 PARP1 (0.49) PARP1NUDT1KDM4EADORA3ADORA2A
SCHEMBL1681360 0.75 PARP1 (0.45) PARP1NUDT1KDM4EADORA3ADORA2A
SCHEMBL18237558 0.75 PARP1 (0.45) PARP1NUDT1KDM4EADORA3ADORA2A
SCHEMBL1326106 0.73 PARP1 (0.44) PARP1NUDT1KDM4EADORA3ADORA2A
SCHEMBL15375729 0.73 CYP3A4 (0.42) PARP1NUDT1KDM4EADORA3KCNMA1
SCHEMBL529185 0.72 ADORA2A (0.39) KDM4EADORA2ACDK1FGFR1TSHR
SCHEMBL196018 0.72 KDM4E (0.58) PARP1KDM4EADORA3FGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650614-B2 Anaplastic lymphoma kinase (ALK) as oncoantigen for lymphoma vaccination CHIARLE, Roberto (IT) 2017-05-16 — — US claimed
US-20150232820-A1 ANAPLASTIC LYMPHOMA KINASE (ALK) AS ONCOANTIGEN FOR LYMPHOMA VACCINATION CHIARLE ROBERTO (IT) 2015-08-20 — — US claimed
EP-2042191-B1 Anaplastic Lymphoma Kinase (ALK) as oncoantigen for lymphoma vaccination CHIARLE ROBERTO (IT) 2013-01-02 — — EP claimed
US-20090118216-A1 ANAPLASTIC LYMPHOMA KINASE (ALK) AS ONCOANTIGEN FOR LYMPHOMA VACCINATION INGHIRAMI, GIORGIO (IT) 2009-05-07 — — US claimed
EP-2042191-A1 Anaplastic Lymphoma Kinase (ALK) as oncoantigen for lymphoma vaccination Chiarle, Roberto (IT) 2009-04-01 — — EP claimed
US-11999732-B2 P2X3 receptor antagonists RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-04 — — US disclosed
CN-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 — — CN disclosed
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2021-08-12 — — US disclosed
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2021-08-12 — — US disclosed
CN-112584898-A P2X3Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2021-03-30 — — CN disclosed
US-20080262227-A1 PROCESS FOR MAKING RISPERIDONE AND INTERMEDIATES THEREFOR SLANINA PAVEL 2008-10-23 — — US disclosed
US-7405298-B2 Process for making risperidone and intermediates therefor SYNTHON IP INC. (US) 2008-07-29 — — US disclosed
EP-1560814-A1 PROCESS FOR MAKING RISPERIDONE AND INTERMEDIATES THEREFOR Synthon B.V. (NL) 2005-08-10 — — EP disclosed
WO-2004043923-A1 PROCESS FOR MAKING RISPERIDONE AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2004-05-27 — — WO disclosed
US-20040097523-A1 Process for making risperidone and intermediates therefor SYNTHON IP INC. 2004-05-20 — — US disclosed
US-6013650-A VETERINARY MEDICINE NEUROGEN CORPORATION (US) 2000-01-11 — — US disclosed
US-5817813-A 6-BENZOYL-4-AMINO-6,7,8,9-TETRAHYDROPYRIDO(3,4-E)PYRIMIDIN-2-O NE INTERMEDIATESFOR IMIDAZOPYRIMIDINES NEUROGEN CORPORATION (US) 1998-10-06 — — US disclosed
US-5625063-A Certain aryl fused imidazaopyrimidines; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1997-04-29 — — US disclosed
WO-1994026742-A1 CERTAIN ARYL FUSED IMIDAZOPYRIMIDINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1994-11-24 — — WO disclosed
US-5212310-A Certain aryl fused imidazopyrimidines; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1993-05-18 — — 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 (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-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS P2RX3, P2RX5, P2RX2 PARP1 3152/4885NUDT1 1133/4885KDM4E 4316/4885
US-20080262227-A1 PROCESS FOR MAKING RISPERIDONE AND INTERMEDIATES THEREFOR FAR1, HSD17B11, CYP4Z1 PARP1 2757/4885NUDT1 1282/4885KDM4E 3633/4885
US-20040097523-A1 Process for making risperidone and intermediates therefor FAR1, HSD17B11, HSD11B1 PARP1 2207/4885NUDT1 1195/4885KDM4E 3715/4885
US-11999732-B2 P2X3 receptor antagonists P2RX3, P2RX5, P2RX2 PARP1 3152/4885NUDT1 1133/4885KDM4E 4316/4885

“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.