SCHEMBL17066945

SCHEMBL17066945

CCn1nc(C(F)(F)F)c2c1CC(F)(F)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CYP2C19 P33261 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIA2 P42262 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL15730102 0.80 LMNA (0.36) LMNATDP1TSHRNPSR1GAA
SCHEMBL20365092 0.79 LMNA (0.33) LMNATDP1TSHRNPSR1GAA
SCHEMBL18853767 0.77 LMNA (0.36) LMNATDP1TSHRNPSR1GAA
SCHEMBL14555306 0.76 LMNA (0.63) LMNATDP1TSHRNPSR1GAA
SCHEMBL20371630 0.76 TDP1 (0.59) LMNATDP1TSHRNPSR1GAA
SCHEMBL17066937 0.75 LMNA (0.64) LMNATDP1TSHRNPSR1GAA
SCHEMBL14555353 0.74 GRIA2 (0.34) LMNATDP1TSHRNPSR1GAA
SCHEMBL20725307 0.74 LMNA (0.41) LMNATDP1TSHRNPSR1GAA
SCHEMBL23501946 0.72 LMNA (0.40) LMNATDP1TSHRNPSR1GAA
SCHEMBL17621619 0.72 GRIA2 (0.46) LMNATDP1TSHRNPSR1GAA

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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — 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 (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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885TDP1 3647/4885TSHR 4824/4885

“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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