SCHEMBL3557551

SCHEMBL3557551

CC(C)(C(=O)Nc1cc(C2C[CH]C2)n[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.46
P2RX7 Q99572 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
ACKR3 P25106 1/20 0.37
DGAT1 O75907 1/20 0.36
HSD11B1 P28845 2/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL3260157 0.83 ADORA1 (0.39) CCNA2CDK2CCNA1GAARAB9A
SCHEMBL3564741 0.83 CYP1A2 (0.51) HSD11B1CYP3A4GAACYP2C19SMN1; SMN2
SCHEMBL3244773 0.73 ALDH1A1 (0.35) CCNA2CDK2CCNA1CYP2C19SMN1; SMN2
SCHEMBL5867407 0.72 CCNA2 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL6388495 0.70 CYP1A2 (0.47) HSD11B1CYP3A4GAACYP2C19MAPT
SCHEMBL6388500 0.70 CYP1A2 (0.47) HSD11B1CYP3A4GAACYP2C19MAPT
SCHEMBL3256189 0.69 MEN1 (0.47) CCNA2CDK2SMN1; SMN2POLB
SCHEMBL3561408 0.69 GRM4 (0.46) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3568622 0.69 HDAC1 (0.42) CCNA2CDK2HDAC3HDAC1HDAC2
SCHEMBL3250409 0.69 CDK2 (0.51) CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP FFAR2 2808/4885P2RX7 2764/4885CCNA2 784/4885

“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.