SCHEMBL17066985

SCHEMBL17066985

CCc1ncccc1-c1ccc(Cl)c(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.43
EIF4E P06730 3/20 0.42
MKNK1 Q9BUB5 4/20 0.41
MKNK2 Q9HBH9 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE4A P27815 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RX7 Q99572 1/20 0.39
PTGER1 P34995 1/20 0.39
CNR1 P21554 1/20 0.38
SYK P43405 1/20 0.38
ADRA1D P25100 1/20 0.38
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17066983 0.85 MKNK1 (0.44) MTORMKNK1MKNK2PDE4AKDM4E
SCHEMBL15730516 0.83 MKNK1 (0.61) MTOREIF4EMKNK1MKNK2NPSR1
SCHEMBL14555831 0.81 EIF4E (0.45) EIF4EMKNK1MKNK2NPSR1RXFP1
SCHEMBL946824 0.79 MKNK1 (0.41) MKNK1MKNK2PDE4AKDM4EALDH1A1
SCHEMBL20371520 0.78 MKNK1 (0.66) MKNK1MKNK2PDE4A
SCHEMBL17066990 0.78 MTOR (0.56) MTORHPGDCNR1PDK2
SCHEMBL17067051 0.77 KMO (0.45) PDE4A
SCHEMBL1785281 0.76 MKNK1 (0.47) EIF4EMKNK1MKNK2NPSR1RXFP1
SCHEMBL353231 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10P2RX7
SCHEMBL30011332 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10P2RX7

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-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MTOR 676/4885EIF4E 975/4885MKNK1 2159/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MTOR 676/4885EIF4E 975/4885MKNK1 2159/4885

“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.