SCHEMBL2173193

SCHEMBL2173193

Cc1cc(CN(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
ACHE P22303 2/20 0.43
PYCR1 P32322 2/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTT P42858 3/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 1/20 0.38
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
GPR35 Q9HC97 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4526750 0.85 TSHR (0.53) TSHRACHEPYCR1HSD17B10CYP2C9
SCHEMBL1098781 0.81 TSHR (0.49) TSHRACHEPYCR1HSD17B10CYP2C9
SCHEMBL27494823 0.80 TSHR (0.52) TSHRACHECYP2C9CYP1A2CYP2D6
SCHEMBL13598125 0.79 TSHR (0.65) TSHRACHEHSD17B10CYP2C9CYP1A2
SCHEMBL1099443 0.78 TSHR (0.63) TSHRACHEHSD17B10CYP2C9CYP1A2
SCHEMBL6304685 0.78 TSHR (0.63) TSHRACHEHSD17B10CYP1A2CYP2C19
SCHEMBL10155626 0.78 TSHR (0.63) TSHRACHEHSD17B10HTTPOLB
SCHEMBL16199349 0.78 TSHR (0.63) TSHRACHEHSD17B10CYP1A2CYP2C19
SCHEMBL29839845 0.77 CYP3A4 (0.42) TSHRPYCR1ALOX15ALDH1A1LMNA
SCHEMBL787788 0.77 CYP3A4 (0.42) TSHRPYCR1ALOX15ALDH1A1LMNA

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 14 patents. 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-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076075-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-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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 TSHR 978/4885ACHE 2071/4885PYCR1 512/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 TSHR 2524/4885ACHE 2582/4885PYCR1 697/4885
US-20090042910-A1 QUINOLINE DERIVATIVES FOR TREATING CANCER RECQL, NQO2, NRAS TSHR 1590/4885ACHE 1875/4885PYCR1 537/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 TSHR 1084/4885ACHE 2229/4885PYCR1 559/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 TSHR 1179/4885ACHE 2128/4885PYCR1 484/4885

“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.