SCHEMBL6096033

SCHEMBL6096033

Nc1ccc2c(N)ncnc2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.57
PI4K2B Q8TCG2 2/20 0.57
PI4K2A Q9BTU6 2/20 0.57
PI4KB Q9UBF8 2/20 0.57
EGFR P00533 8/20 0.54
MAP4K4 O95819 9/20 0.51
IP6K1 Q92551 1/20 0.42

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
SCHEMBL29663392 1.00 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL4692556 0.83 MAP4K4 (0.66) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL29713890 0.83 MAP4K4 (0.66) PI4KAPI4K2BPI4K2API4KBEGFR
Water SCHEMBL28851833 0.81 MAP4K4 (0.64) PI4KAPI4K2BPI4K2API4KBEGFR
Hydrochloric Acid SCHEMBL10969363 0.81 MAP4K4 (0.64) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL2082154 0.79 EGFR (0.51) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL22911854 0.79 PDE4A (0.53) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL20813473 0.79 EGFR (0.53) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL6442231 0.79 NR4A2 (0.56) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL7376295 0.79 MAP4K4 (0.54) PI4KAPI4K2BPI4K2API4KBMAP4K4

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
EP-4269395-A1 NOVEL QUINAZOLINE DERIVATIVE COMPOUND AS SOS1 INHIBITOR, AND USE THEREOF Hanmi Pharmaceutical Co., Ltd. (KR) 2023-11-01 EP claimed
US-20220411422-A1 ERBB RECEPTOR INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2022-12-29 US disclosed
US-11447492-B2 ERBB receptor inhibitors DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
WO-2022148442-A1 6-SUBSTITUTED PHOSPHORYL QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-07-14 WO disclosed
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 PI4KA 3516/4885PI4K2B 3865/4885PI4K2A 4617/4885
US-11447492-B2 ERBB receptor inhibitors ERBB2, EGFR, ERBB3 PI4KA 491/4885PI4K2B 730/4885PI4K2A 714/4885
US-20220411422-A1 ERBB RECEPTOR INHIBITORS ERBB2, EGFR, ERBB3 PI4KA 495/4885PI4K2B 614/4885PI4K2A 733/4885

“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.