SCHEMBL4526629

SCHEMBL4526629

CCN(C)Cc1cc(C)cc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PYCR1 P32322 1/20 0.31
PRKCI P41743 1/20 0.31
ACHE P22303 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL2174853 0.82 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL18932612 0.79 PYCR1 (0.39) ALDH1A1TSHRPYCR1ACHECYP11B1
SCHEMBL23562 0.74 ALDH1A1 (0.60) ALDH1A1TSHRACHE
SCHEMBL18138033 0.74 CYP2D6 (0.37) ALDH1A1PYCR1
SCHEMBL3146615 0.73 CHRNB2 (0.50) CHRNB2CHRNA4PYCR1CYP11B1CYP11B2
SCHEMBL1098664 0.73 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL14088678 0.72 ALDH1A1 (0.63) ALDH1A1TSHRACHECYP11B1CYP11B2
SCHEMBL1175842 0.72 KDM4E (0.39) ALDH1A1
SCHEMBL1175752 0.72 TPMT (0.52) ALDH1A1
SCHEMBL3148019 0.71 MAPT (0.52) ALDH1A1TSHRCHRNB2CHRNA4PYCR1

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 2449/4885TSHR 2524/4885CHRNB2 3994/4885

“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.