SCHEMBL2910974

SCHEMBL2910974

NC(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
PEPD P12955 1/20 0.46
NPC1 O15118 1/20 0.45
EGFR P00533 1/20 0.44
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KIF11 P52732 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL3482455 0.82 KIF11 (0.53) ALDH1A1P2RX1MAPTKIF11LMNA
SCHEMBL1787750 0.82 PEPD (0.56) ALDH1A1PEPDNPC1HSD17B10GAA
SCHEMBL30543026 0.81 GPR35 (0.50) ALDH1A1
SCHEMBL13863227 0.81 ALDH1A1 (0.47) ALDH1A1PEPDHSD17B10GAAMAPT
SCHEMBL27193043 0.80 RAB9A (0.50) NPC1EGFRP2RX1P2RX4P2RX7
SCHEMBL4109329 0.80 ALDH1A1 (0.41) ALDH1A1NPC1EGFRP2RX1P2RX4
SCHEMBL6073193 0.79 ALDH1A1 (0.54) ALDH1A1PEPDNPC1EGFRHSD17B10
SCHEMBL7142754 0.79 MEN1 (0.52) ALDH1A1EGFRP2RX1P2RX4P2RX7
SCHEMBL167713 0.79 MEN1 (0.67) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL30104928 0.78 ALDH1A1 (0.49) ALDH1A1NPC1HSD17B10GAAMAPT

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN claimed
JP-2007511596-A 2007-05-10 JP claimed
EP-1687309-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER Pfizer Products Inc. (US) 2006-08-09 EP claimed
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP claimed
WO-2005047289-A1 PYRROLOPYRIMIDINE COMPOUNDS USEFUL IN TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2005-05-26 WO claimed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 WO claimed
EP-4744664-A2 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2026-05-20 EP disclosed
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2024-11-21 US disclosed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 US disclosed
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-16 US disclosed
CN-111526877-B Compounds and compositions for IRE1 inhibition 奥普提卡拉公司 2023-08-25 CN disclosed
CN-109384729-B Pyrimidinedione compounds for cardiac disorders 迈奥卡迪亚公司 2023-06-30 CN disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US disclosed
WO-2009013444-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2009-01-29 WO disclosed
WO-2008109238-A1 SUBSTITUTED CYCLOPENTYL PIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2007129060-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2007-11-15 WO disclosed
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
EP-1062207-A1 9-AMINOACRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2000-12-27 EP disclosed
WO-2000037447-A1 9-AMINOACRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-06-29 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-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885PEPD 1120/4885NPC1 2234/4885
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR GRB2, RAD51, MRE11 ALDH1A1 3059/4885PEPD 3727/4885NPC1 4337/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885PEPD 1120/4885NPC1 2234/4885

“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.