SCHEMBL4282172

SCHEMBL4282172

Cc1ccc(C2(N)C=CN=C(N)N2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MGAT2 Q10469 1/20 0.30

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
SCHEMBL2945942 0.79 MAPT (0.37) ALDH1A1MEN1KMT2A
SCHEMBL4281846 0.76 DRD2 (0.33)
SCHEMBL2846014 0.75 BACE1 (0.37) ALDH1A1
SCHEMBL4277498 0.73 MAPT (0.46) ALDH1A1MEN1KMT2A
SCHEMBL4282740 0.71
SCHEMBL3990101 0.68 KDM4E (0.51) ALDH1A1MEN1KMT2A
SCHEMBL2911025 0.68 MAPT (0.40) ALDH1A1MEN1KMT2AMGAT2
SCHEMBL4282170 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2843552 0.64
SCHEMBL4284969 0.64 TAAR1 (0.35)

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-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT ALDH1A1 1326/4885MEN1 3158/4885KMT2A 521/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT ALDH1A1 1116/4885MEN1 3425/4885KMT2A 588/4885

“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.