SCHEMBL21055786

SCHEMBL21055786

CNc1nc(Cl)nc2cc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
PDE2A O00408 1/20 0.41
C1R P00736 1/20 0.41
CTNNB1 P35222 2/20 0.39
TCF7L2 Q9NQB0 2/20 0.39
ACHE P22303 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAT2A P31153 1/20 0.39
BCHE P06276 3/20 0.38

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
SCHEMBL21055797 0.86 KDM4E (0.55) LMNAKDM4EALDH1A1MAPTHRH4
SCHEMBL21055788 0.84 HRH4 (0.57) KDM4EALDH1A1MAPTHRH4PDE2A
SCHEMBL21055785 0.81 PTGES (0.47) HRH4PDE2AACHECYP1A2CYP3A4
SCHEMBL30013659 0.78 ALDH1A1 (0.49) LMNAKDM4EALDH1A1MAPTC1R
SCHEMBL183983 0.78 ALDH1A1 (0.49) LMNAKDM4EALDH1A1MAPTC1R
SCHEMBL8898174 0.78 TRIM58 (0.56) LMNAKDM4EALDH1A1MAPTHRH4
SCHEMBL1622223 0.77 CYP1A2 (0.61) LMNAKDM4EALDH1A1MAPTCYP1A2
SCHEMBL11609819 0.75 HTT (0.50) LMNAKDM4EALDH1A1MAPTHRH4
SCHEMBL3598923 0.74 HTR3A (0.57) ALDH1A1HRH4PDE2AMAT2A
SCHEMBL3115102 0.72 HTT (0.56) LMNAHRH4CTNNB1TCF7L2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2019-06-18 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 (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-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof NQO2, NQO1, NIT2 LMNA 767/4885KDM4E 1608/4885ALDH1A1 1226/4885

“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.