SCHEMBL17548873

SCHEMBL17548873

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2[nH]ncc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 5/20 0.76
MAPK14 Q16539 5/20 0.76
BRAF P15056 5/20 0.76
DDR1 Q08345 4/20 0.76
LCK P06239 4/20 0.76
ABL1 P00519 4/20 0.76
SRC P12931 3/20 0.76
EPHB2 P29323 3/20 0.76
BCR P11274 3/20 0.76
ESYT2 A0FGR8 2/20 0.76
NBAS A2RRP1 2/20 0.76
CNOT1 A5YKK6 2/20 0.76
TBKBP1 A7MCY6 2/20 0.76
AGPS O00116 2/20 0.76
MYO1F O00160 2/20 0.76
SNAP23 O00161 2/20 0.76
AP3B1 O00203 2/20 0.76
PSMD12 O00232 2/20 0.76
BMPR1B O00238 2/20 0.76
PGRMC1 O00264 2/20 0.76

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
SCHEMBL22024839 0.89 MAPK14 (0.74) DDR2MAPK14BRAFDDR1LCK
SCHEMBL24532081 0.88 BRAF (0.80) DDR2MAPK14BRAFDDR1LCK
SCHEMBL24532018 0.88 MAPK14 (0.76) DDR2MAPK14BRAFDDR1LCK
SCHEMBL16111549 0.87 MAPK14 (0.68) DDR2MAPK14BRAFDDR1LCK
SCHEMBL29931136 0.86 ABL1 (1.00) DDR2MAPK14BRAFDDR1LCK
SCHEMBL16111548 0.86 ABL1 (1.00) DDR2MAPK14BRAFDDR1LCK
SCHEMBL4696313 0.86 POLB (0.59) DDR2MAPK14BRAFDDR1LCK
SCHEMBL22025318 0.85 BRAF (0.68) DDR2MAPK14BRAFDDR1LCK
SCHEMBL4699731 0.85 ABL1 (1.00) DDR2MAPK14BRAFDDR1LCK
SCHEMBL29358745 0.85 ABL1 (1.00) DDR2MAPK14BRAFDDR1LCK

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-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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS GROUP, INC. (US) 2016-03-03 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-20160058751-A1 COMPOSITION AND METHOD FOR TREATING CANCER KRAS, NRAS, TP53 DDR2 2306/4885MAPK14 1253/4885BRAF 5/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A DDR2 2054/4885MAPK14 141/4885BRAF 65/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A DDR2 2054/4885MAPK14 141/4885BRAF 65/4885

“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.