SCHEMBL31754615

SCHEMBL31754615

N#CN1CC=C(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
USP30 Q70CQ3 7/20 0.41
CDK12 Q9NYV4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AOC3 Q16853 1/20 0.36

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
SCHEMBL31754646 0.84 KDM4E (0.41) DRD4SIGMAR1USP30KDM4ELMNA
SCHEMBL8488039 0.76 SIGMAR1 (0.53) DRD4SIGMAR1KDM4ELMNAPOLB
SCHEMBL17677243 0.76 SIGMAR1 (0.50) DRD4SIGMAR1KDM4ELMNACYP1A2
SCHEMBL31754727 0.76 HRH3 (0.42) USP30CDK12KDM4ELMNACYP1A2
SCHEMBL31754616 0.75 TRPV1 (0.44)
SCHEMBL25124555 0.73 SIGMAR1 (0.60) DRD4SIGMAR1KDM4ELMNACYP1A2
SCHEMBL12100560 0.72 ALDH1A1 (0.59) DRD4SIGMAR1ALDH1A1SMN1; SMN2AOC3
SCHEMBL30097493 0.72 ALDH1A1 (0.59) DRD4SIGMAR1ALDH1A1SMN1; SMN2AOC3
SCHEMBL14890550 0.71 TDO2 (0.51) DRD4SIGMAR1ALDH1A1
SCHEMBL18382209 0.71 DRD4 (0.46) DRD4SIGMAR1KDM4ELMNACYP1A2

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-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2026-01-01 US claimed

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-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors CDK1, CDK12, CDK11A DRD4 4750/4885SIGMAR1 3414/4885USP30 3419/4885

“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.