SCHEMBL19780141

SCHEMBL19780141

COC(=O)Nc1c(C)cncc1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.39
PRKCQ Q04759 6/20 0.37
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2B6 P20813 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR2 O95136 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL19780140 0.81 PDE4A (0.38) MAP2K1PRKCQGAACYP1A2LMNA
SCHEMBL19880450 0.80 EGFR (0.36) MAP2K1PRKCQLMNA
SCHEMBL19779388 0.77 NLRP3 (0.44) GAALMNATSHRMAPTALDH1A1
SCHEMBL20621262 0.76 RIPK1 (0.34) MAP2K1GAACYP1A2LMNA
SCHEMBL19880454 0.75 PDE4D (0.49) MAPT
SCHEMBL19779516 0.75 TSHR (0.38) GAACYP1A2CYP2C8CYP2B6LMNA
SCHEMBL20621278 0.75 TSHR (0.40) GAACYP1A2CYP2C8CYP2B6LMNA
SCHEMBL19880529 0.72 ALDH1A1 (0.38) PRKCQGAALMNAMEN1MAPT
SCHEMBL3559922 0.68 TSHR (0.41) PRKCQTSHRALDH1A1
SCHEMBL19782077 0.68 HPGD (0.35) MAP2K1GAACYP1A2CYP2C8CYP2B6

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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 US disclosed
WO-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 MAP2K1 3891/4885PRKCQ 1065/4885GAA 198/4885

“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.