SCHEMBL4899142

SCHEMBL4899142

O=C(NNC(=S)N[C@H](Cc1ccncc1)CN1C(=O)c2ccccc2C1=O)c1ccc2cnccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CDK2 P24941 1/20 0.38
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
TSHR P16473 2/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL4900162 1.00 AKT1 (0.41) AKT1ALDH1A1LMNAMAPK1HDAC3
SCHEMBL4781246 0.97 AKT1 (0.41) AKT1ALDH1A1LMNAMAPK1HDAC3
SCHEMBL4891405 0.97 AKT1 (0.41) AKT1ALDH1A1LMNAMAPK1HDAC3
SCHEMBL4896077 0.97 AKT1 (0.41) AKT1ALDH1A1LMNAMAPK1HDAC3
SCHEMBL4901998 0.93 AKT1 (0.41) AKT1ALDH1A1LMNAMAPK1HDAC3
SCHEMBL4904361 0.93 AKT1 (0.41) AKT1ALDH1A1LMNAMAPK1HDAC3
SCHEMBL4899055 0.93 GAA (0.41) AKT1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL4901986 0.93 ALDH1A1 (0.42) AKT1ALDH1A1CDK2NAMPT
SCHEMBL4903498 0.93 ALDH1A1 (0.42) AKT1ALDH1A1CDK2NAMPT
SCHEMBL4898951 0.90 AKT1 (0.41) AKT1ALDH1A1HDAC3HDAC1HDAC2

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR AKT1 26/4885ALDH1A1 1752/4885LMNA 1795/4885

“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.