SCHEMBL5014075

SCHEMBL5014075

NC(=O)/C(=C\c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C1 Q04828 1/20 0.36
MCL1 Q07820 1/20 0.36
ROCK1 Q13464 2/20 0.36
ROCK2 O75116 1/20 0.36
NEK2 P51955 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL16102102 0.80 KMT2A (0.48) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5014082 0.76 NPC1 (0.38) AKR1C1ROCK1ROCK2NEK2MAPT
SCHEMBL21777089 0.74 AKR1C1 (0.47) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30931995 0.74 AKR1C1 (0.47) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30440659 0.73 RET (0.42) ROCK1ROCK2ALDH1A1LMNAMAPK1
SCHEMBL17241296 0.71 ROCK1 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL5014078 0.68 SMN1; SMN2 (0.57) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL16180625 0.67 CDK8 (0.49) AKR1C1ROCK1ROCK2FLT3PLK4
SCHEMBL23593943 0.66 AKR1C1 (0.70) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6689798 0.66 AKR1C1 (0.70) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 KMT2A 3504/4885CYP1A2 2426/4885CYP3A4 2011/4885

“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.