SCHEMBL4720474

SCHEMBL4720474

CCCCOc1cccc2[nH][c]c(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
PDE5A O76074 3/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
LTA4H P09960 2/20 0.36
CSNK1D P48730 2/20 0.36
PRKCD Q05655 2/20 0.36
CAMK2B Q13554 2/20 0.36
CAMK2G Q13555 2/20 0.36
CAMK2D Q13557 2/20 0.36
TAOK1 Q7L7X3 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36

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
SCHEMBL4720423 0.87 GRK6 (0.39) PDE5ACDK1CDK2KDM4E
SCHEMBL4724671 0.81 HTR1B (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4720440 0.80 ABCG2 (0.42) CYP1A2CYP2C9MAPK1KDM4ETP53
SCHEMBL4720942 0.74 HTR1B (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4723292 0.73 CYP2C9 (0.44) CYP1A2CYP2C9CYP2C19LTA4HCSNK1D
SCHEMBL4765647 0.69 CYP2C9 (0.46) CYP1A2CYP2C9CYP2C19LTA4HCSNK1D
SCHEMBL30002666 0.69 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19LTA4HKDM4E
SCHEMBL4723591 0.68 ENPP1 (0.42) PDE5AMAPK1GSK3BKDM4EHTR1B
1,2-Dibutoxybenzene SCHEMBL29428927 0.68 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HKDM4E
1,2-Dibutoxybenzene SCHEMBL1226749 0.68 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19LTA4HKDM4E

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 3 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

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 CYP1A2 427/4885CYP2C9 303/4885CYP2C19 195/4885

“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.