SCHEMBL2174853

SCHEMBL2174853

Cc1cc(N)cc(CN(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
NOS1 P29475 3/20 0.38
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
GSR P00390 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
TAAR1 Q96RJ0 1/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15872023 0.89 ALDH1A1 (0.46) ALDH1A1TSHRNOS1NOS3NOS2
SCHEMBL4643735 0.86 ALDH1A1 (0.50) ALDH1A1TSHRNOS1NOS3NOS2
SCHEMBL14075736 0.84 ALDH1A1 (0.46) ALDH1A1TSHRNOS1NOS3NOS2
SCHEMBL4526629 0.82 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL15077303 0.79 ALDH1A1 (0.48) ALDH1A1TSHRNOS1NOS3NOS2
SCHEMBL1098664 0.77 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHRH3SLC6A4
SCHEMBL20837049 0.77 HRH3 (0.40) ALDH1A1TSHRNOS1NOS3NOS2
SCHEMBL14088678 0.77 ALDH1A1 (0.63) ALDH1A1TSHRNOS1NOS3NOS2
SCHEMBL427399 0.76 NOS1 (0.51) ALDH1A1TSHRNOS1NOS3NOS2
SCHEMBL27389057 0.75 ALDH1A1 (0.43) ALDH1A1TSHRLMNAGAATDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101437811-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
CN-101437810-A Quinazoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
CN-101437812-A Quinoline derivatives for the treatment of cancer ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
CN-101432276-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-13 CN disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994028-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099335-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO 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 (5 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS ALDH1A1 832/4885TSHR 978/4885NOS1 1050/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALDH1A1 2449/4885TSHR 2524/4885NOS1 407/4885
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS ALDH1A1 932/4885TSHR 1590/4885NOS1 999/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 ALDH1A1 1940/4885TSHR 1084/4885NOS1 1319/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 ALDH1A1 887/4885TSHR 1179/4885NOS1 1174/4885

“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.