SCHEMBL4697866

SCHEMBL4697866

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.89
BTK Q06187 4/20 0.89
ABL1 P00519 3/20 0.89
BCR P11274 3/20 0.89
ESYT2 A0FGR8 2/20 0.89
NBAS A2RRP1 2/20 0.89
CNOT1 A5YKK6 2/20 0.89
TBKBP1 A7MCY6 2/20 0.89
AGPS O00116 2/20 0.89
MYO1F O00160 2/20 0.89
SNAP23 O00161 2/20 0.89
AP3B1 O00203 2/20 0.89
PSMD12 O00232 2/20 0.89
BMPR1B O00238 2/20 0.89
PGRMC1 O00264 2/20 0.89
CLIC1 O00299 2/20 0.89
CDC7 O00311 2/20 0.89
IPO5 O00410 2/20 0.89
PLK4 O00444 2/20 0.89
COXFA4 O00483 2/20 0.89

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
SCHEMBL4699731 0.94 ABL1 (1.00) BRAFBTKABL1BCRESYT2
SCHEMBL29358745 0.94 ABL1 (1.00) BRAFBTKABL1BCRESYT2
SCHEMBL29380618 0.94 ABL1 (1.00) BRAFBTKABL1BCRESYT2
SCHEMBL4698636 0.92 BRAF (0.76) BRAFBTKABL1BCRESYT2
SCHEMBL24532059 0.91 ABL1 (0.86) BRAFBTKABL1BCRESYT2
SCHEMBL22024717 0.90 BRAF (0.72) BRAFBTKABL1BCRESYT2
SCHEMBL4696222 0.90 BRAF (0.72) BRAFBTKABL1BCRESYT2
SCHEMBL22119546 0.88 BRAF (0.82) BRAFBTKABL1BCRESYT2
SCHEMBL21943587 0.87 BRAF (0.70) BRAFBTKABL1BCRESYT2
SCHEMBL24532075 0.87 BRAF (0.89) BRAFBTKABL1BCRESYT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US claimed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP claimed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO claimed
US-20220194943-A1 RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2022-06-23 US disclosed
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 EP disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 US disclosed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 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 (4 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 BRAF 42/4885BTK 214/4885ABL1 30/4885
US-20220194943-A1 RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER EPHA1, EPHB2, EPHB1 BRAF 52/4885BTK 140/4885ABL1 75/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A BRAF 65/4885BTK 594/4885ABL1 1429/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A BRAF 65/4885BTK 594/4885ABL1 1429/4885

“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.