SCHEMBL5014078

SCHEMBL5014078

O=C(C=Cc1ccccc1)Nc1ncc2cn[nH]c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
MITF O75030 1/20 0.57
HTT P42858 1/20 0.57
MDM2 Q00987 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50
DEGS1 O15121 2/20 0.50
EGFR P00533 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 1/20 0.49
STAT1 P42224 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL16102104 0.81 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ALMNAMAPTMITF
SCHEMBL10008577 0.79 KMT2A (0.61) SMN1; SMN2KMT2ALMNAMAPTMITF
SCHEMBL10008580 0.79 KMT2A (0.61) SMN1; SMN2KMT2ALMNAMAPTMITF
SCHEMBL10009481 0.76 MMP1 (0.57) SMN1; SMN2KMT2ALMNAMAPTMITF
SCHEMBL5017650 0.76 NPC1 (0.55) SMN1; SMN2KMT2ALMNAMAPTL3MBTL1
SCHEMBL10009478 0.76 MMP1 (0.57) SMN1; SMN2KMT2ALMNAMAPTMITF
SCHEMBL5015389 0.73 DEGS1 (0.48) KMT2ADEGS1RAB9ANPC1ALDH1A1
SCHEMBL10299114 0.71 EGFR (0.62) SMN1; SMN2KMT2ALMNAMAPTMITF
SCHEMBL10010523 0.71 EGFR (0.62) SMN1; SMN2KMT2ALMNAMAPTMITF
SCHEMBL10010527 0.71 EGFR (0.62) SMN1; SMN2KMT2ALMNAMAPTMITF

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 SMN1; SMN2 1564/4885KMT2A 3504/4885LMNA 4459/4885

“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.