SCHEMBL4724432

SCHEMBL4724432

CCCCNc1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
TRPC3 Q13507 1/20 0.46
TRPC4 Q9UBN4 1/20 0.46
TRPC5 Q9UL62 1/20 0.46
XDH P47989 3/20 0.44
TLR8 Q9NR97 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
UTS2R Q9UKP6 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
RIPK1 Q13546 1/20 0.38
ADRA2A P08913 3/20 0.37
ADRA2C P18825 3/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37

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
SCHEMBL529881 0.94 XDH (0.46) BCHETRPC3TRPC4TRPC5XDH
SCHEMBL11144407 0.93 XDH (0.47) BCHETRPC3TRPC4TRPC5XDH
SCHEMBL1018955 0.88
Acetic Acid SCHEMBL10882605 0.84 GPR84 (0.45) XDHGPR84
SCHEMBL8670943 0.83 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL11370026 0.81 HRH3 (0.42) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL14093097 0.80 ADRA2A (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL92442 0.79
SCHEMBL14107750 0.79 ADRA2A (0.36) ADRA2AADRA2CADRA1DADRA1AADRA1B
Bromide SCHEMBL9134034 0.78

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 5 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
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 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-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 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 BCHE 3103/4885TRPC3 1910/4885TRPC4 513/4885

“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.