SCHEMBL4889340

SCHEMBL4889340

CCCC[CH]c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
RECQL P46063 1/20 0.36
CCR3 P51677 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.33
IKBKB O14920 1/20 0.33
DYRK2 Q92630 1/20 0.33
CHRNA7 P36544 1/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
GRM2 Q14416 1/20 0.33
LY96 Q9Y6Y9 1/20 0.33
MEN1 O00255 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4886788 0.94 RECQL (0.38) HSD11B1RECQLCCR3TSHRALDH1A1
SCHEMBL4897157 0.88 HSD11B1 (0.39) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL4892657 0.81 HSD11B1 (0.43) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL1611320 0.78 TSHR (0.45) RECQLTSHRALDH1A1KMT2AMEN1
SCHEMBL9663811 0.76 MAPT (0.44) TSHRALDH1A1KMT2AMEN1NFKB1
SCHEMBL15563320 0.76 POLB (0.37) TSHRCYP2D6
SCHEMBL4895093 0.76 ALDH1A1 (0.43) TSHRALDH1A1KMT2AMEN1CYP1A2
SCHEMBL4890465 0.76 NFE2L2 (0.46) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4897359 0.76 APP (0.36) TSHRALDH1A1CYP2D6
SCHEMBL15563153 0.74 CYP3A4 (0.46) CYP2D6HSD17B10

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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 HSD11B1 4805/4885RECQL 107/4885CCR3 1502/4885

“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.