SCHEMBL16514951

SCHEMBL16514951

CN(C)CCOc1ccc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)nc4)nc23)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.42
▸ ACVR1 Q04771 2/20 0.41
▸ CDK4 P11802 6/20 0.41
▸ CCND1 P24385 4/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ MYLK4 Q86YV6 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ CDK1 P06493 3/20 0.39
▸ CCNB1 P14635 3/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ CDK6 Q00534 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37

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
SCHEMBL29848054 1.00 WEE1 (0.42) WEE1ACVR1CDK4CCND1CCND2
SCHEMBL16515205 0.91 MAPK10 (0.42) WEE1CDK4CCND1CCND2CCND3
SCHEMBL16514858 0.90 CDK4 (0.48) WEE1CDK4CCND1CCND2CCND3
SCHEMBL16823073 0.90 CDK4 (0.43) WEE1ACVR1CDK4CCND1CCND2
SCHEMBL29846996 0.90 CDK4 (0.48) WEE1CDK4CCND1CCND2CCND3
SCHEMBL16514537 0.89 MYLK4 (0.44) WEE1ACVR1CDK4CCND1CCND2
SCHEMBL29847614 0.89 MYLK4 (0.44) WEE1ACVR1CDK4CCND1CCND2
SCHEMBL29848188 0.87 ACVR1 (0.42) WEE1ACVR1CDK4CCND1CCND2
SCHEMBL16514857 0.87 ACVR1 (0.42) WEE1ACVR1CDK4CCND1CCND2
SCHEMBL16515245 0.87 MYLK4 (0.43) WEE1ACVR1CDK4CCND1CCND2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
US-9849139-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-12-26 — — US claimed
US-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2017-07-13 — — US claimed
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 — — US claimed
EP-3035936-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NeuPharma, Inc. (US) 2016-06-29 — — EP claimed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 — — US claimed
WO-2015027222-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2015-02-26 — — WO claimed
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC (US) 2026-04-16 — — US disclosed
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 — — US disclosed
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC 2024-06-20 — — US disclosed
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2024-01-09 — — US disclosed
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2022-11-10 — — US disclosed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
EP-3035936-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-03-13 — — EP disclosed
US-10172868-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2019-01-08 — — US disclosed
US-9849139-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-12-26 — — US disclosed
US-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2017-07-13 — — US disclosed
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-02-23 — — US disclosed
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 — — US disclosed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 — — US 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 (9 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-10172868-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 WEE1 225/4885ACVR1 4466/4885CDK4 156/4885
US-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 WEE1 225/4885ACVR1 4466/4885CDK4 156/4885
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 WEE1 225/4885ACVR1 4466/4885CDK4 156/4885
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 WEE1 225/4885ACVR1 4466/4885CDK4 156/4885
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 WEE1 84/4885ACVR1 2352/4885CDK4 22/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 WEE1 225/4885ACVR1 4466/4885CDK4 156/4885
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 WEE1 225/4885ACVR1 4466/4885CDK4 156/4885
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CDK2, MAP3K6, MAP3K2 WEE1 446/4885ACVR1 1787/4885CDK4 16/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 WEE1 55/4885ACVR1 3722/4885CDK4 358/4885

“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.

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