SCHEMBL4695604

SCHEMBL4695604

CCC(=O)C(C#N)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.50
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL3663493 0.83 CTSC (0.48) CTSCTSHRSMN1; SMN2MEN1HTT
SCHEMBL8904491 0.80 PTGES (0.43) CTSSCTSK
SCHEMBL4837691 0.79 CTSC (0.49) CTSCTSHRSMN1; SMN2MEN1HTT
SCHEMBL28652466 0.78 SMN1; SMN2 (0.54) CTSCTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL9613415 0.76 CNR2 (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL8903502 0.76 TSHR (0.49) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL4397838 0.75 TSHR (0.45) CTSCTSHRSMN1; SMN2MEN1HTT
SCHEMBL8903139 0.75 CTSS (0.49) CTSCCTSSCTSK
SCHEMBL1709301 0.75 TSHR (0.47) CTSCTSHRSMN1; SMN2MEN1HTT
SCHEMBL1709334 0.75 TSHR (0.47) CTSCTSHRSMN1; SMN2MEN1HTT

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-20080188494-A1 Use Of 5-Alkyl-6-Phenylalkyl-7-Aminoazolopyrimidines, Novel Azolopyrimidines, Processes For Their Preparation And Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
EP-1876899-A2 USE OF 5-ALKYL-6-PHENYLALKYL-7-AMINO-AZOLOPYRIMIDINES, NOVEL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2008-01-16 EP disclosed
WO-2006114405-A2 USE OF 5-ALKYL-6-PHENYLALKYL-7-AMINO-AZOLOPYRIMIDINES, NOVEL AZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 WO 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-20080188494-A1 Use Of 5-Alkyl-6-Phenylalkyl-7-Aminoazolopyrimidines, Novel Azolopyrimidines, Processes For Their Preparation And Compositions Comprising Them RRM2, PNP, NT5C3B CTSC 4042/4885TSHR 2280/4885SMN1; SMN2 3970/4885

“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.