SCHEMBL22024679

SCHEMBL22024679

Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1NC(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.56
▸ HDAC3 O15379 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ CSF1R P07333 5/20 0.54
▸ KIT P10721 1/20 0.53
▸ RHOC P08134 1/20 0.51
▸ RHOA P61586 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49
▸ P2RX1 P51575 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL22025349 0.92 BRAF (0.58) BRAFHDAC3HDAC8HDAC6CSF1R
SCHEMBL22024518 0.90 BRAF (0.69) BRAFCSF1RKITP2RX1GAA
SCHEMBL22024983 0.89 P2RX1 (0.54) HDAC3HDAC8HDAC6CSF1RKIT
SCHEMBL22024681 0.83 KIT (0.68) BRAFCSF1RKITMEN1HTT
SCHEMBL1358516 0.82 BRAF (0.56) BRAFHDAC3HDAC8HDAC6CSF1R
SCHEMBL1358527 0.80 HDAC3 (0.58) BRAFHDAC3HDAC8HDAC6CSF1R
SCHEMBL17316210 0.80 HDAC3 (0.58) BRAFHDAC3HDAC8HDAC6CSF1R
SCHEMBL22025430 0.80 MEN1 (0.59) BRAFMEN1HTTRAB9AKMT2A
Nitric Acid SCHEMBL1358553 0.77 BRAF (0.51) BRAFHDAC3HDAC8HDAC6CSF1R
SCHEMBL19500731 0.77 HDAC3 (0.54) BRAFHDAC3HDAC8HDAC6CSF1R

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A BRAF 65/4885HDAC3 1255/4885HDAC8 573/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A BRAF 65/4885HDAC3 1255/4885HDAC8 573/4885

“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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