SCHEMBL6014177

SCHEMBL6014177

Cc1nc2ccc(I)cc2c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.72
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 1/20 0.62
PARP1 P09874 2/20 0.59
TNKS2 Q9H2K2 1/20 0.59
NPC1 O15118 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
IP6K1 Q92551 1/20 0.57
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55

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
SCHEMBL6650293 0.84 TYMS (1.00) TYMSPARP1
SCHEMBL29535139 0.82 KDM4E (0.66) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL7263029 0.82 KDM4E (0.66) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL29901695 0.79 KDM4E (0.62) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL10288872 0.79 TYMS (0.72) TYMSPARP1TUBB4ATUBBTUBA3C
SCHEMBL29900526 0.79 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL3115005 0.79 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL31463101 0.79 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL5313776 0.79 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL28637729 0.79 KDM4E (0.62) TYMSKDM4EHSD17B10LMNAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230557-B Quinazoline-substituted 1,2,3-triazole derivative, and pharmaceutical composition, preparation method and application thereof 深圳大学 2023-01-06 CN disclosed
CN-114230557-A Quinazoline-substituted 1,2, 3-triazole derivative, and pharmaceutical composition, preparation method and application thereof 深圳大学 2022-03-25 CN disclosed
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 US disclosed
US-20060270849-A1 Process for producing pyrimidin-4-one compound UBE INDUSTRIES, LTD. (JP) 2006-11-30 US disclosed
CN-1835930-A Process for producing pyrimidin-4-one compound UBE INDUSTRIES (JP) 2006-09-20 CN disclosed
EP-1637523-A1 PROCESS FOR PRODUCING PYRIMIDIN-4-ONE COMPOUND Ube Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
CN-1474816-A 4-amino-quinazolines Ĭ��ר���ɷ����޹�˾ 2004-02-11 CN disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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 (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-20060270849-A1 Process for producing pyrimidin-4-one compound DDC, ODC1, APRT TYMS 6/4885KDM4E 2569/4885HSD17B10 2895/4885
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST TYMS 3440/4885KDM4E 3689/4885HSD17B10 4752/4885

“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.