SCHEMBL5582014

SCHEMBL5582014

COc1ccc(-c2cccc(Cl)c2)c2cnc(N)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.54
ADORA1 P30542 4/20 0.51
ADORA2A P29274 3/20 0.51
FYN P06241 2/20 0.47
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DHPS P49366 1/20 0.41
PDE4B Q07343 4/20 0.40
CDC7 O00311 1/20 0.40
TDO2 P48775 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL5581720 0.86 MAPT (0.51) DHFRFYNRECQLNPC1MAPT
SCHEMBL5582298 0.84 ADORA1 (0.53) DHFRADORA1ADORA2ANPC1TDO2
SCHEMBL5582307 0.83 PDE4B (0.41) ADORA1FYNNPC1MAPTTSHR
SCHEMBL5581996 0.81 AKR1C3 (0.46) ADORA1MAPTPDE4BL3MBTL1
SCHEMBL28396600 0.80 ADORA1 (0.64) DHFRADORA1ADORA2AFYNMAPT
SCHEMBL5581989 0.80 DHFR (0.51) DHFRADORA1ADORA2AFYNTSHR
SCHEMBL5582238 0.74 MAP4K4 (0.52) DHFRADORA1ADORA2AFYN
SCHEMBL5581874 0.73 ADORA1 (0.43) DHFRADORA1ADORA2AFYN
SCHEMBL5581762 0.73 ADORA1 (0.43) DHFRADORA1ADORA2AFYNDHPS
SCHEMBL5581757 0.73 ADORA1 (0.43) DHFRADORA1ADORA2AFYNDHPS

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-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 EP 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 (1 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 DHFR 1735/4885ADORA1 406/4885ADORA2A 1251/4885

“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.