SCHEMBL16513407

SCHEMBL16513407

CN1CCN(c2ccc(Nc3ncc4cccc(-c5cc(N)ccn5)c4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.59
JAK2 O60674 3/20 0.59
FLT3 P36888 1/20 0.52
CDK4 P11802 5/20 0.52
AURKA O14965 3/20 0.52
ALK Q9UM73 1/20 0.51
EGFR P00533 2/20 0.50
CCND1 P24385 1/20 0.50
MAP4K1 Q92918 1/20 0.50
JAK3 P52333 1/20 0.50
CDK2 P24941 1/20 0.49
KDR P35968 1/20 0.49
GSK3B P49841 1/20 0.49
FGFR4 P22455 5/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49

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
SCHEMBL29848216 1.00 BRD4 (0.59) BRD4JAK2FLT3CDK4AURKA
SCHEMBL16514866 0.90 JAK2 (0.61) JAK2CDK4CCND1JAK3CDK2
SCHEMBL29847741 0.90 JAK2 (0.61) JAK2CDK4CCND1JAK3CDK2
SCHEMBL29847583 0.89 CTSC (0.49) BRD4JAK2FLT3CDK4AURKA
SCHEMBL16515375 0.89 CTSC (0.49) BRD4JAK2FLT3CDK4AURKA
SCHEMBL16514324 0.89 CDK2 (0.50) BRD4JAK2CDK4CCND1JAK3
SCHEMBL29847654 0.89 CDK2 (0.50) BRD4JAK2CDK4CCND1JAK3
SCHEMBL16515714 0.88 JAK2 (0.51) BRD4JAK2FLT3CDK4EGFR
SCHEMBL28839679 0.87 BRD4 (0.55) BRD4JAK2CDK4AURKAALK
SCHEMBL16514362 0.87 JAK2 (0.70) BRD4JAK2FLT3CDK4AURKA

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 28 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
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 US 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
US-11304957-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2022-04-19 US disclosed
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2018-05-10 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
EP-3035936-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NeuPharma, Inc. (US) 2016-06-29 EP disclosed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 US disclosed
WO-2015027222-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2015-02-26 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 (10 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-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 BRD4 474/4885JAK2 356/4885FLT3 210/4885
US-20240197752-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 BRD4 474/4885JAK2 356/4885FLT3 210/4885
US-11865120-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 BRD4 474/4885JAK2 356/4885FLT3 210/4885
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BRD4 658/4885JAK2 53/4885FLT3 79/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 BRD4 474/4885JAK2 356/4885FLT3 210/4885
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 BRD4 474/4885JAK2 356/4885FLT3 210/4885
US-11304957-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 BRD4 474/4885JAK2 356/4885FLT3 210/4885
US-20220354864-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 BRD4 474/4885JAK2 356/4885FLT3 210/4885
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CDK2, MAP3K6, MAP3K2 BRD4 564/4885JAK2 248/4885FLT3 245/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 BRD4 1922/4885JAK2 155/4885FLT3 11/4885

“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.