SCHEMBL15832191

SCHEMBL15832191

C=C(CNC(=C)NCc1ccc(N)cc1)NCc1cccc(-n2cncn2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 3/20 0.40
▸ ROCK2 O75116 1/20 0.34
▸ PPID Q08752 1/20 0.34
▸ GRK6 P43250 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KCNT1 Q5JUK3 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32

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
SCHEMBL12643961 0.81 PPID (0.46) CTSDROCK2PPIDGRK6CYP1A2
SCHEMBL17335727 0.73 CTSD (0.49) CTSDROCK2GRK6CYP1A2CYP3A4
SCHEMBL15832188 0.73 ADRB2 (0.35) PPID
SCHEMBL15832158 0.72 ALDH1A1 (0.49) —
SCHEMBL15832193 0.71 ALDH1A1 (0.48) PPIDCYP2D6CYP2C19
SCHEMBL16270331 0.71 CYP3A4 (0.53) CTSDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10154296 0.70 PRMT6 (0.50) CTSDROCK2GRK6CYP1A2CYP3A4
SCHEMBL5252166 0.69 CYP2A6 (0.46) GRK6CYP2A6HCRTR1HCRTR2CHRNA7
SCHEMBL30640531 0.69 CYP2A6 (0.49) GRK6CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1020541 0.69 LMNA (0.49) CTSDGRK6CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 CTSD 3195/4885ROCK2 3142/4885PPID 73/4885

“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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