SCHEMBL4721777

SCHEMBL4721777

CCCCNC1CCC[N]1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
FUCA1 P04066 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
GBA1 P04062 3/20 0.31
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
GLB1 P16278 1/20 0.30

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
SCHEMBL9820795 0.94 GNAI3 (0.41) GNAI3GNAO1GNAI1FUCA1S1PR1
SCHEMBL4723807 0.94 MEN1 (0.36) GNAI3GNAO1GNAI1FUCA1MEN1
SCHEMBL8110870 0.92 GNAI3 (0.43) GNAI3GNAO1GNAI1FUCA1S1PR1
SCHEMBL4724871 0.88
SCHEMBL9820895 0.87 GNAI3 (0.42) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL4723752 0.82 EPHX1 (0.32)
SCHEMBL3055820 0.79
SCHEMBL947066 0.74 SIGMAR1 (0.31) MEN1KMT2ACYP1A2
SCHEMBL946195 0.73 SIGMAR1 (0.34) SMN1; SMN2GBA1CYP1A2TSHRGLB1
SCHEMBL4723708 0.72

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
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
EP-0565132-B1 Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-10-25 EP disclosed
US-5811576-A 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-09-22 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
US-4855292-A ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-08 US disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 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 (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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 GNAI3 936/4885GNAO1 1763/4885GNAI1 1407/4885

“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.