SCHEMBL4924798

SCHEMBL4924798

CCCCOc1[c]nnnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 7/20 0.34
CYP2C19 P33261 6/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 8/20 0.33
CYP19A1 P11511 6/20 0.33
CYP3A4 P08684 5/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL4919734 0.91 ALDH1A1 (0.33) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL4918709 0.74 CYP2D6 (0.41) LTA4HMAPTKMT2ACYP2C9CYP2C19
SCHEMBL4723158 0.66 KDM4E (0.35) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4923654 0.65 CYP2D6 (0.36) LTA4HMAPTKMT2ACYP2C9CYP2C19
SCHEMBL10692851 0.65 LTA4H (0.46) LTA4HCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4063778 0.65 LTA4H (0.39) LTA4HCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4917812 0.64 MAPT (0.34) LTA4HMAPTKMT2ACYP2D6CYP3A4
SCHEMBL4911911 0.64 CYP19A1 (0.40) LTA4HMAPTCYP2C9CYP2C19CYP1A2
SCHEMBL1494205 0.63 CYP2D6 (0.42) LTA4HMAPTKMT2ACYP2C9CYP2C19
SCHEMBL4922565 0.62 CYP19A1 (0.41) MAPTCYP2C9CYP2C19CYP1A2CYP2D6

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 LTA4H 496/4885MAPT 4568/4885KMT2A 2100/4885

“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.