SCHEMBL1448060

SCHEMBL1448060

COCNC(=O)c1ccc(Br)o1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
HPGD P15428 9/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.56
THRB P10828 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL3215052 0.85 ALDH1A1 (0.75) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8790687 0.83 ALDH1A1 (0.67) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3708995 0.81 HPGD (0.65) HPGDSMN1; SMN2L3MBTL1HSD17B10
SCHEMBL13753317 0.81 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL28835294 0.81 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24426002 0.80 ALDH1A1 (0.76) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6429154 0.78 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL2112079 0.78 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6360984 0.78 ALDH1A1 (0.80) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5717558 0.77 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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-20110097320-A1 4-AMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-04-28 US disclosed
US-20110053964-A1 4-AMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS, INC. 2011-03-03 US disclosed
EP-2054063-A2 4-AMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Concert Pharmaceuticals Inc. (US) 2009-05-06 EP disclosed
US-20080051422-A1 4-Aminoquinazoline derivatives and methods of use thereof CONCERT PHARMACEUTICALS INC. (US) 2008-02-28 US disclosed
WO-2008024439-A2 4-AMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2008-02-28 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 (3 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-20110097320-A1 4-AMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF ERBB2, ERBB4, EGFR ALDH1A1 3251/4885HPGD 2036/4885MEN1 2650/4885
US-20080051422-A1 4-Aminoquinazoline derivatives and methods of use thereof ERBB2, ERBB4, EGFR ALDH1A1 3251/4885HPGD 2036/4885MEN1 2650/4885
US-20110053964-A1 4-AMINOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF ERBB2, ERBB4, EGFR ALDH1A1 3240/4885HPGD 2348/4885MEN1 2330/4885

“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.