SCHEMBL15730263

SCHEMBL15730263

Cc1ncccc1-c1cccc(C(=O)NC2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.56
CREBBP Q92793 2/20 0.51
BRD4 O60885 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
POLQ O75417 1/20 0.48
SMYD3 Q9H7B4 1/20 0.48
GRM5 P41594 2/20 0.47
RIPK1 Q13546 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
CSF1R P07333 1/20 0.47
KDR P35968 1/20 0.47
DHODH Q02127 1/20 0.46
BRPF1 P55201 1/20 0.46
CECR2 Q9BXF3 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
BRD7 Q9NPI1 1/20 0.46

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
SCHEMBL20371607 0.85 MAPK14 (0.52) MAPK14CREBBPBRD4NPC1RAB9A
SCHEMBL15730264 0.83 MKNK1 (0.51) CREBBPBRD4POLQRIPK1SCN5A
SCHEMBL27769316 0.79 KAT6A (0.55) MAPK14CREBBPBRD4NPC1RAB9A
SCHEMBL15730176 0.78 MKNK2 (0.55) CREBBPBRD4GRM5SCN5ASCN9A
SCHEMBL27597178 0.78 MKNK1 (0.49) SCN5ASCN9AABL1DHODHMKNK1
SCHEMBL5558505 0.78 ALDH1A1 (0.52) NPC1RAB9AGRM5SCN5ASCN9A
SCHEMBL10094504 0.77 MAP3K5 (0.48) MAPK14NPC1RAB9ASMYD3GRM5
SCHEMBL15730103 0.77 TP53 (0.55)
SCHEMBL15730523 0.77 MKNK1 (0.70) NPC1RAB9ASCN5ASCN9AMKNK1
SCHEMBL10094380 0.76 BRD4 (0.52) MAPK14CREBBPBRD4NPC1RAB9A

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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAPK14 1299/4885CREBBP 2977/4885BRD4 2077/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAPK14 1299/4885CREBBP 2977/4885BRD4 2077/4885

“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.