SCHEMBL4027723

SCHEMBL4027723

Cn1cnnc1Sc1ccc(N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CBLB Q13191 2/20 0.39
GCK P35557 9/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
P4HB P07237 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4029532 0.77 GCK (0.54) ALDH1A1GCKLMNAKMT2A
SCHEMBL5657754 0.74 GCK (0.46) ALDH1A1CBLBGCKKDM4E
SCHEMBL717493 0.68 ROCK2 (0.51) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL1115010 0.66 ALDH1A1 (0.36) ALDH1A1POLBLMNAMAPTRAB9A
SCHEMBL21212214 0.64 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1POLBMEN1LMNA
SCHEMBL5657891 0.64 LMNA (0.51) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL21199997 0.63 CBLB (0.67) CBLB
SCHEMBL21200000 0.63 CBLB (0.67) CBLB
SCHEMBL21200405 0.63 CBLB (0.67) CBLB
SCHEMBL14301814 0.63 CBLB (0.43) HTTSMN1; SMN2ALDH1A1CBLBGCK

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
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HTT 3456/4885SMN1; SMN2 4731/4885ALDH1A1 3334/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HTT 3322/4885SMN1; SMN2 4856/4885ALDH1A1 4094/4885

“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.