SCHEMBL13828362

SCHEMBL13828362

CNc1nc(N(C)C)nc2[nH]ncc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.62
HTR2A P28223 9/20 0.62
PDPK1 O15530 1/20 0.50
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
PLK4 O00444 1/20 0.35
PAK4 O96013 1/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
CREBBP Q92793 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL13829736 0.77 HTR2A (0.52) HTR2CHTR2APDPK1CHEK1AURKA
SCHEMBL13828306 0.77 HTR2C (0.65) HTR2CHTR2APDPK1PLK4PAK4
SCHEMBL14441306 0.77 PDPK1 (0.55) HTR2CHTR2APDPK1CHEK1AURKA
SCHEMBL130812 0.75 PDPK1 (0.53) HTR2CHTR2APDPK1ALDH1A1PLK4
SCHEMBL31706902 0.75 PDPK1 (0.58) HTR2CHTR2APDPK1ALDH1A1PLK4
SCHEMBL130797 0.75 PDPK1 (0.53) HTR2CHTR2APDPK1ALDH1A1PLK4
SCHEMBL18284452 0.75 HTR2A (0.50) HTR2CHTR2ACHEK1AURKA
SCHEMBL19414395 0.69 HTR2C (0.60) HTR2CHTR2APDPK1ALDH1A1PLK4
SCHEMBL10094590 0.67 PDPK1 (1.00) PDPK1CHEK1AURKAALDH1A1LMNA
SCHEMBL10442145 0.66 XDH (0.36) HTR2CHTR2APDPK1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 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 (2 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-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HTR2C 3685/4885HTR2A 3189/4885PDPK1 9/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB HTR2C 3685/4885HTR2A 3189/4885PDPK1 9/4885

“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.