SCHEMBL5491074

SCHEMBL5491074

Cc1nc(N2CCCC2)c2ccc(OCc3ccccc3)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPY5R Q15761 8/20 0.54
KIT P10721 1/20 0.51
ENPP1 P22413 1/20 0.45
CYP3A4 P08684 1/20 0.45
TP53 P04637 1/20 0.45
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44

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
SCHEMBL5486974 0.86 MAOB (0.47) MEN1KMT2ANPY5RENPP1CYP3A4
SCHEMBL5485939 0.84 ENPP1 (0.47) MEN1KMT2ANPY5RKITENPP1
SCHEMBL5485947 0.84 ENPP1 (0.47) MEN1KMT2ANPY5RKITENPP1
SCHEMBL5488228 0.82 MAOB (0.48) MEN1KMT2ANPY5RENPP1CYP3A4
SCHEMBL5484958 0.82 MEN1 (0.42) MEN1KMT2ANPY5RKITENPP1
SCHEMBL5486348 0.82 ENPP1 (0.43) MEN1KMT2ANPY5RKITENPP1
SCHEMBL5486343 0.82 ENPP1 (0.43) MEN1KMT2ANPY5RKITENPP1
SCHEMBL5033351 0.81 NCF1 (0.61) NPY5RKITCYP3A4
SCHEMBL5490756 0.81 MEN1 (0.46) MEN1KMT2ANPY5RENPP1TP53
SCHEMBL5485312 0.81 MEN1 (0.46) MEN1KMT2ANPY5RENPP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 MEN1 1326/4885KMT2A 1664/4885NPY5R 360/4885

“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.