SCHEMBL4719481

SCHEMBL4719481

[c]1ccc(ON2CCOCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 4/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 6/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 3/20 0.32
USP2 O75604 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 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
SCHEMBL4722563 0.81 ALDH1A1 (0.32) ALDH1A1POLB
SCHEMBL444426 0.79 ALDH1A1 (0.35) SMN1; SMN2KMT2AALDH1A1MEN1HTT
SCHEMBL7472860 0.79 KMT2A (0.49) SMN1; SMN2LMNAKMT2AKDM4EALDH1A1
SCHEMBL1283273 0.76 ADRB1 (0.35) CYP2C19
SCHEMBL10344804 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AKDM4EALDH1A1MEN1
SCHEMBL4721696 0.76 L3MBTL1 (0.31)
SCHEMBL11088046 0.72 ESR1 (0.46) SMN1; SMN2LMNACYP1A2TSHRALDH1A1
SCHEMBL7380436 0.71 CYP1A2 (0.69) SMN1; SMN2CYP1A2CYP2C9CYP2C19TP53
SCHEMBL2228938 0.71 ALDH1A1 (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL16695922 0.71 MAPT (0.50) SMN1; SMN2TP53TSHRKMT2AKDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104784695-A Method of using PI3K and MEK modulators EXELIXIS INC 2015-07-22 CN disclosed
CN-101528231-A Use of PI3K and MEK modulators in the treatment of cancer EXELIXIS INC (US) 2009-09-09 CN disclosed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 EP 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-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP 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
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO 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
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO 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
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 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 (3 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 SMN1; SMN2 4511/4885LMNA 2692/4885CYP1A2 427/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 SMN1; SMN2 4249/4885LMNA 2530/4885CYP1A2 807/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 SMN1; SMN2 3818/4885LMNA 3156/4885CYP1A2 578/4885

“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.