SCHEMBL22025349

SCHEMBL22025349

Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1NC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.58
▸ TRPV1 Q8NER1 2/20 0.55
▸ MAPT P10636 2/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ PTGS1 P23219 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ CSF1R P07333 2/20 0.51
▸ KIT P10721 3/20 0.50
▸ RORC P51449 1/20 0.50
▸ LCK P06239 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ MAPK14 Q16539 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
SCHEMBL22024679 0.92 BRAF (0.56) BRAFRAB9AMEN1KMT2AHDAC3
SCHEMBL22024518 0.88 BRAF (0.69) BRAFMAPTNPSR1RAB9AMEN1
SCHEMBL22024983 0.86 P2RX1 (0.54) MAPTHDAC3HDAC8HDAC6CSF1R
SCHEMBL22024681 0.85 KIT (0.68) BRAFMAPTRAB9AMEN1KMT2A
SCHEMBL22025430 0.80 MEN1 (0.59) BRAFMAPTNPSR1RAB9AMEN1
SCHEMBL22025295 0.79 PTGS1 (0.64) BRAFTRPV1MAPTXBP1NPSR1
SCHEMBL22025093 0.76 KMT2A (0.55) MAPTPTGS1NPC1RAB9AMEN1
SCHEMBL22025348 0.76 CNR1 (0.55) BRAFNPC1RAB9AMEN1KMT2A
SCHEMBL22025351 0.76 NPC1 (0.58) BRAFMAPTNPC1RAB9AKIT
SCHEMBL17935980 0.75 TRPV1 (0.56) BRAFTRPV1MAPTXBP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A BRAF 65/4885TRPV1 2797/4885MAPT 2459/4885

“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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