SCHEMBL1682952

SCHEMBL1682952

N=C1NCCN1Cc1[nH]c(=O)[nH]c(=O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMP P19971 19/20 0.43

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
SCHEMBL1682928 0.84 TYMP (0.62) TYMP
SCHEMBL6574229 0.76 TYMP (0.72) TYMP
Hydrochloric Acid SCHEMBL1682937 0.75 TYMP (0.72) TYMP
SCHEMBL1682944 0.70 TYMP (0.65) TYMP
SCHEMBL24709604 0.66 ALDH1A1 (0.45)
Bromide SCHEMBL31141403 0.65 ALDH1A1 (0.44)
SCHEMBL6572727 0.63 TYMP (0.52) TYMP
SCHEMBL6574092 0.63 TYMP (0.50) TYMP
SCHEMBL11002379 0.63 TYMP (0.50) TYMP
SCHEMBL856041 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303283-A2 ANTI-CANCER COMBINATION THERAPY Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2011-04-06 EP claimed
US-20110065663-A1 ANTI-CANCER COMBINATION THERAPY KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D 2011-03-17 US claimed
US-20100240682-A1 PHOPHYLACTIC OR THERAPEUTIC AGENT FOR INFLAMATORY DISEASE COMPRISING THYMIDINE PHOSPHORYLASE INHIBITOR AS ACTIVE INGREDIENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-23 US claimed
EP-2204192-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASE COMPRISING THYMIDINE PHOSPHORYLASE INHIBITOR AS ACTIVE INGREDIENT Taiho Pharmaceutical Co., Ltd. (JP) 2010-07-07 EP claimed
WO-2009138507-A2 ANTI-CANCER COMBINATION THERAPY KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2009-11-19 WO claimed
EP-0884051-B1 CANCEROUS METASTASIS INHIBITORS CONTAINING URACIL DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2004-12-15 EP claimed
EP-0763529-B1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2003-07-23 EP claimed
US-6255314-B1 Cancerous metastasis inhibitors containing uracil derivatives TAIHO CHARMACEUTICAL CO., LTD. (JP) 2001-07-03 US claimed
EP-0884051-A1 CANCEROUS METASTASIS INHIBITORS CONTAINING URACIL DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-12-16 EP claimed
US-5744475-A 4-N-HET-METHYLURACIL DERIVATIVES; THYMIDINE PHOSPHORYLASE INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-04-28 US claimed
EP-0763529-A1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1997-03-19 EP claimed
WO-2018039359-A1 METHODS FOR THE TREATMENT OF CANCER-ASSOCIATED BONE DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-03-01 WO disclosed
US-8440675-B2 Potentiator of radiation therapy TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-14 US disclosed
EP-2036903-B1 POTENTIATOR OF RADIATION THERAPY TAIHO PHARMACEUTICAL CO LTD (JP) 2012-05-23 EP disclosed
US-8148381-B2 Potentiator of radiation therapy TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-04-03 US disclosed
US-6255314-B1 Cancerous metastasis inhibitors containing uracil derivatives TAIHO CHARMACEUTICAL CO., LTD. (JP) 2001-07-03 US disclosed
US-6159969-A Uracil derivatives, and antitumor effect potentiator and antitumor agent containing the same TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-12 US disclosed
EP-0884051-A1 CANCEROUS METASTASIS INHIBITORS CONTAINING URACIL DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-12-16 EP disclosed
US-5744475-A 4-N-HET-METHYLURACIL DERIVATIVES; THYMIDINE PHOSPHORYLASE INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-04-28 US disclosed
EP-0763529-A1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1997-03-19 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 (2 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-20110065663-A1 ANTI-CANCER COMBINATION THERAPY TYMP, MTAP, NTPCR TYMP 1/4885
US-20100240682-A1 PHOPHYLACTIC OR THERAPEUTIC AGENT FOR INFLAMATORY DISEASE COMPRISING THYMIDINE PHOSPHORYLASE INHIBITOR AS ACTIVE INGREDIENT TYMP, MTAP, PNP TYMP 1/4885

“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.