SCHEMBL4101892

SCHEMBL4101892

CN1CCN(c2cc[c]c(-c3ccncc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.47
MELK Q14680 1/20 0.47
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
LATS1 O95835 1/20 0.41
CSNK1D P48730 1/20 0.41
MAPK14 Q16539 1/20 0.41
ADRA2C P18825 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR3A P46098 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL9739579 0.86 CHKA (0.52) HRH4MEN1GAAKMT2ACSNK1D
SCHEMBL4112616 0.83 CYP1A2 (0.48) MEN1GLAGAAKMT2A
SCHEMBL4112713 0.76 METAP1 (0.47) HRH4MEN1GLAGAAKMT2A
SCHEMBL28337260 0.74 MELK (0.69) HRH4MELKMEN1GLAGAA
SCHEMBL4984976 0.73 HRH4 (0.41) HRH4MEN1GLAGAAKMT2A
SCHEMBL91519 0.73 CHKA (0.64) HRH4MELKMEN1GLAGAA
SCHEMBL5884761 0.73 HTR3A (0.51) HRH4MEN1GLAGAAKMT2A
SCHEMBL3587531 0.73 ADRA2C (0.49) HRH4MEN1GLAGAAKMT2A
SCHEMBL4165953 0.72 ADRA2C (0.45) HRH4MEN1GLAGAAKMT2A
SCHEMBL422460 0.71 MAP4K1 (0.46) GAAKMT2AADRA2CKDM4ENPC1

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-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 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-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH HRH4 2776/4885MELK 962/4885MEN1 4783/4885

“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.