SCHEMBL22024879

SCHEMBL22024879

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.71
BRAF P15056 7/20 0.70
EGFR P00533 5/20 0.70
KIT P10721 5/20 0.70
CSF1R P07333 4/20 0.70
RET P07949 4/20 0.70
LYN P07948 3/20 0.70
BCR P11274 3/20 0.70
ESYT2 A0FGR8 1/20 0.70
PLEKHG3 A1L390 1/20 0.70
NBAS A2RRP1 1/20 0.70
CNOT1 A5YKK6 1/20 0.70
TBKBP1 A7MCY6 1/20 0.70
MYO1G B0I1T2 1/20 0.70
AGPS O00116 1/20 0.70
MYO1F O00160 1/20 0.70
SNAP23 O00161 1/20 0.70
AP3B1 O00203 1/20 0.70
PSMD12 O00232 1/20 0.70
BMPR1B O00238 1/20 0.70

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
SCHEMBL22025471 0.94 ABL1 (0.68) ABL1BRAFEGFRKITCSF1R
SCHEMBL22025467 0.91 ABL1 (0.71) ABL1BRAFEGFRKITCSF1R
SCHEMBL29728053 0.90 RET (0.59) ABL1BRAFEGFRKITCSF1R
SCHEMBL21943494 0.89 RET (0.81) ABL1BRAFEGFRKITCSF1R
SCHEMBL22024559 0.89 KIT (0.72) ABL1BRAFEGFRKITCSF1R
SCHEMBL22024564 0.88 ABL1 (0.72) ABL1BRAFEGFRKITCSF1R
SCHEMBL21942967 0.87 RET (0.76) ABL1BRAFEGFRKITCSF1R
SCHEMBL22024747 0.86 ABL1 (0.71) ABL1BRAFEGFRKITCSF1R
SCHEMBL22024748 0.85 KIT (0.71) ABL1BRAFEGFRKITCSF1R
SCHEMBL22025314 0.85 ABL1 (0.72) ABL1BRAFEGFRKITCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20220194943-A1 RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER EPHA1, EPHB2, EPHB1 ABL1 75/4885BRAF 52/4885EGFR 27/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A ABL1 1429/4885BRAF 65/4885EGFR 1058/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A ABL1 1429/4885BRAF 65/4885EGFR 1058/4885

“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.