SCHEMBL7040447

SCHEMBL7040447

COc1nc(N)cc(=O)n1CCOCCBr

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE5A O76074 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 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
SCHEMBL7038232 0.88 ALDH1A1 (0.37) MAPTALDH1A1CYP1A2POLBMAPK1
SCHEMBL6778694 0.82 PDE4D (0.35) MAPTPOLB
SCHEMBL7035193 0.80 MAOA (0.42) MAPTALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL7035141 0.73 CYP1A2 (0.38) MAPTALDH1A1CYP1A2MAPK1
SCHEMBL7036369 0.73 MTNR1A (0.38) MAPTALDH1A1CYP1A2
SCHEMBL9305415 0.71 ALDH1A1 (0.44) MAPTALDH1A1POLB
SCHEMBL9300556 0.71 MAPT (0.39) MAPTALDH1A1CYP1A2
SCHEMBL7038766 0.68 KDM4E (0.46) MAPTALDH1A1L3MBTL1CYP1A2MAPK1
SCHEMBL7041805 0.66 TNF (0.43) MAPTALDH1A1
SCHEMBL6403829 0.56 BACE1 (0.49)

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-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 US disclosed
US-20030114414-A1 Methods for synthesizing substituted pyrimidines NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-19 US disclosed
WO-2003011297-A1 N3-SUBSTITUTED 6-ANILINOPYRIMIDINES AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIVERSITY OF MASSACHUSETTS (US) 2003-02-13 WO disclosed
WO-2002102769-A2 METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES UNIVERSITY OF MASSACHUSETTS (US) 2002-12-27 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 (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-20030114445-A1 N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections MPHOSPH6, MRPS18A, PNP MAPT 2547/4885ALDH1A1 3453/4885ATM 1964/4885
US-20030114414-A1 Methods for synthesizing substituted pyrimidines TYMP, NUDT1, TYMS MAPT 4134/4885ALDH1A1 1403/4885ATM 1317/4885

“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.