SCHEMBL15096855

SCHEMBL15096855

COc1cc2c(cc1C)CCc1sc(NN)nc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.44
TP53 P04637 6/20 0.44
DYRK1A Q13627 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MPI P34949 1/20 0.43
ADORA1 P30542 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
EIF4E P06730 2/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL1694638 0.91 DYRK1A (0.49) MAPTTP53DYRK1AALDH1A1KDM4E
SCHEMBL1694677 0.76 EIF4E (0.44) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL2762751 0.73 KDM4E (0.67) MAPTALDH1A1KDM4EMPIADORA1
SCHEMBL2762497 0.68 MAPT (0.46) MAPTTP53DYRK1AALDH1A1KDM4E
SCHEMBL2775744 0.64 KDM4E (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13944140 0.62 MAPT (0.46) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL2138195 0.61 MAPT (0.61) MAPTTP53DYRK1AALDH1A1KDM4E
SCHEMBL25321763 0.61 MAPT (0.66) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL6885965 0.61 MAPT (1.00) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL10120330 0.61 EIF4E (0.46) MAPTTP53ALDH1A1KDM4EMEN1

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-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 MAPT 3316/4885TP53 352/4885DYRK1A 3981/4885

“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.