SCHEMBL20993285

SCHEMBL20993285

CC(C)(C)CC(N)c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 4/20 0.34
POLB P06746 3/20 0.34
PKM P14618 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN7 P35236 1/20 0.34
BLM P54132 1/20 0.34
ESR2 Q92731 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 7/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 3/20 0.32
AGTR1 P30556 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14062942 0.78 ALOX5 (0.37) ALOX5CYP2C19KMT2APOLBPKM
SCHEMBL12261820 0.77
SCHEMBL12261798 0.77
SCHEMBL12261901 0.77
SCHEMBL28682937 0.76 KMT2A (0.40) ALOX5CYP2C19KMT2APOLBPKM
SCHEMBL17829523 0.76 KMT2A (0.42) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL4837762 0.74 SLC6A2 (0.35) ALOX5CYP2C19KMT2APOLBPKM
SCHEMBL5810409 0.74
SCHEMBL12087069 0.72 ALOX5 (0.39) ALOX5CYP2C19KMT2APOLBPKM
SCHEMBL20721295 0.72 ALOX5 (0.39) ALOX5CYP2C19KMT2APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961252-B2 Quinazoline and indole compounds to treat medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-09 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-10961252-B2 Quinazoline and indole compounds to treat medical disorders CFB, TFPI, MAOB ALOX5 266/4885CYP2C19 101/4885KMT2A 4435/4885
US-20190135825-A1 Quinazoline and Indole Compounds to Treat Medical Disorders CFB, TFPI, MAOB ALOX5 266/4885CYP2C19 101/4885KMT2A 4435/4885

“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.