SCHEMBL4277664

SCHEMBL4277664

NC1=NC=CC(N)(c2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.38
MAPT P10636 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
APP P05067 1/20 0.37
LMNA P02545 3/20 0.36
AMY1A P0DUB6 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FBP1 P09467 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL28064648 0.83 KDM1A (0.44) ALDH1A1MAPTLMNAAMY1AMEN1
SCHEMBL4281846 0.76 DRD2 (0.33) KDM4ENPC1RAB9A
SCHEMBL4282740 0.69
SCHEMBL2911025 0.69 MAPT (0.40) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL31603872 0.68 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9AAPP
SCHEMBL4277663 0.68 MAPT (0.41) ALDH1A1MAPTNPC1RAB9AAPP
SCHEMBL1391527 0.68 MAPT (0.41) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL4277498 0.65 MAPT (0.46) ALDH1A1KDM4EMAPTRAB9AAPP
SCHEMBL19410323 0.63 ALDH1A1 (0.50) ALDH1A1MAPTNPC1RAB9AAPP
SCHEMBL2843552 0.62

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 5 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
CN-117126142-A Heterocyclic EGFR mutation inhibitor and application thereof 遵义医科大学珠海校区 2023-11-28 CN disclosed
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 1326/4885KDM4E 1842/4885MAPT 3800/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT ALDH1A1 1116/4885KDM4E 2160/4885MAPT 3707/4885

“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.