SCHEMBL4520045

SCHEMBL4520045

Cc1cc(N)cc(CN2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HRH3 Q9Y5N1 5/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
PRMT6 Q96LA8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
ACHE P22303 2/20 0.41
NCF1 P14598 1/20 0.41
LMNA P02545 1/20 0.41
BRD4 O60885 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
SCHEMBL15872041 0.90 HRH3 (0.54) ALDH1A1HRH3KDM4ETDP1GAA
SCHEMBL3352630 0.88 HRH3 (0.58) ALDH1A1HRH3KDM4ETDP1GAA
SCHEMBL18775271 0.86 LMNA (0.59) ALDH1A1TSHRKDM4EPRMT6NCF1
SCHEMBL24197405 0.84 MAPT (0.49) ALDH1A1HRH3NCF1BRD4
SCHEMBL30417083 0.84 MAPT (0.49) ALDH1A1HRH3NCF1BRD4
SCHEMBL19847092 0.80 GPR183 (0.42) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL6295492 0.79 HRH3 (0.55) ALDH1A1HRH3KDM4EGAAMEN1
SCHEMBL13674757 0.78 ALDH1A1 (0.52) ALDH1A1HRH3KDM4ETDP1GAA
SCHEMBL15587428 0.78 ALDH1A1 (0.54) ALDH1A1HRH3KDM4ETDP1GAA
SCHEMBL546248 0.77 ALDH1A1 (0.51) ALDH1A1HRH3TSHRKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885HRH3 252/4885TSHR 2524/4885

“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.