SCHEMBL4724850

SCHEMBL4724850

NC(=O)c1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PLAU P00749 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
PRSS1 P07477 1/20 0.39
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 3/20 0.38
SIRT3 Q9NTG7 3/20 0.38
LCK P06239 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
PARP1 P09874 2/20 0.38

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
SCHEMBL3898987 0.84 MEN1 (0.41) ALDH1A1KDM4ECES2CES1TDP1
SCHEMBL1181527 0.83 PARP1 (0.41) ALDH1A1KDM4EGAACES2CES1
SCHEMBL1127619 0.83 MEN1 (0.44) ALDH1A1CES2CES1TDP1MAPT
SCHEMBL1128018 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EGAACES2CES1
SCHEMBL4722902 0.78 SLC6A3 (0.44) ALDH1A1KDM4EPLAUMAPTPOLB
SCHEMBL5748894 0.77 LCK (0.44) ALDH1A1KDM4EGAACES2CES1
SCHEMBL3242434 0.76 LCK (0.52) ALDH1A1KDM4EPLAUF2PLG
SCHEMBL27962746 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EGAASIRT2SIRT1
SCHEMBL4723722 0.74 CDC25B (0.47) ALDH1A1KDM4EGAATDP1MAPT
SCHEMBL4723267 0.74 KDM4E (0.51) ALDH1A1KDM4EGAATDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US 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-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 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 ALDH1A1 622/4885KDM4E 2584/4885GAA 3876/4885

“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.