SCHEMBL27202056

SCHEMBL27202056

Cc1cnnc(C(N)=O)c1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 10/20 0.41
IKBKB O14920 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ADRB2 P07550 1/20 0.37
TGFBR1 P36897 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
ADRB1 P08588 2/20 0.34
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33

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
SCHEMBL26134540 0.85 ALDH1A1 (0.37) IKBKB
SCHEMBL27206992 0.81 ADRB1 (0.38) ACVR1IRAK4ADRB1CDK4
SCHEMBL27202079 0.76 GABRD (0.42) ACVR1CHRNB2CHRNA4ADRB1CCNA2
SCHEMBL31398061 0.71 CHRNB2 (0.51) ACVR1IKBKBCHRNB2CHRNA4TGFBR1
Hydrochloric Acid SCHEMBL25237677 0.70 CHRNB2 (0.50) ACVR1IKBKBCHRNB2CHRNA4TGFBR1
SCHEMBL27202076 0.70 ALDH1A1 (0.48) ACVR1IRAK4ADRB1
SCHEMBL28699019 0.70 ACVR1 (0.44) ACVR1IKBKBCHRNB2CHRNA4ADRB2
SCHEMBL31288009 0.69 SIRT3 (0.37) IKBKBCCNA2CDK2
SCHEMBL28634616 0.69 SIRT3 (0.37) IKBKBCCNA2CDK2
SCHEMBL27207432 0.69 ADRB1 (0.39) ADRB1

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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF ACVR1 4356/4885IKBKB 1966/4885CHRNB2 3913/4885

“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.