SCHEMBL31668065

SCHEMBL31668065

CCc1cc(NCC(c2ccc(C)o2)N2CCOCC2)n2nccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
KCNN3 Q9UGI6 7/20 0.35
CDK9 P50750 4/20 0.35
CDK2 P24941 3/20 0.35
CDK7 P50613 2/20 0.35
CDK13 Q14004 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
AGTR1 P30556 1/20 0.34
PDE10A Q9Y233 2/20 0.34
CCNT1 O60563 3/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CCNA1 P78396 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
SCHEMBL31668030 0.86 CCNT1 (0.47) CDK9CDK2CDK7CCNT1CDK4
SCHEMBL31668014 0.77 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31668019 0.76 ALDH1A1 (0.53)
SCHEMBL31668121 0.74 ALDH1A1 (0.49) P2RX7
SCHEMBL31667963 0.73 ALDH1A1 (0.34) P2RX7OPRK1
SCHEMBL2033397 0.71 KCNN3 (0.52) KCNN3CDK9PDE10ACCNT1KCNN1
SCHEMBL31668070 0.71 CCNT1 (0.49) CDK9CDK2CDK7CCNT1CDK4
SCHEMBL31668093 0.69 CCNT1 (0.47) CDK9CDK2CDK7CCNT1CDK4
SCHEMBL18269476 0.65 KDM4E (0.61)
SCHEMBL19527036 0.65 CDK9 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-07-31 US claimed
US-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-07-31 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-20250243208-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 PRKAB2 1993/4885PRKAG1 1090/4885PRKAA2 1709/4885

“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.