SCHEMBL595307

SCHEMBL595307

CC(N)c1ccc(F)nc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
PDE2A O00408 1/20 0.38
CYP2A6 P11509 3/20 0.34
CYP2B6 P20813 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
FOLH1 Q04609 1/20 0.34
CYP2E1 P05181 1/20 0.33
CIT O14578 1/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL10104625 1.00 ADRB2 (0.41) ADRB2PDE2ACYP2A6CYP2B6CYP3A4
SCHEMBL4342752 1.00 ADRB2 (0.41) ADRB2PDE2ACYP2A6CYP2B6CYP3A4
SCHEMBL6210422 0.83 FOLH1 (0.33) ADRB2CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL30144069 0.82 CYP2A6 (0.36) CYP2A6CYP2B6CYP3A4CYP2C19FOLH1
SCHEMBL3513409 0.82 CYP2A6 (0.36) CYP2A6CYP2B6CYP3A4CYP2C19FOLH1
SCHEMBL25489183 0.82 CYP2A6 (0.36) CYP2A6CYP2B6CYP3A4CYP2C19FOLH1
SCHEMBL29974411 0.78 CYP2A6 (0.34) CYP2A6CYP2B6CYP3A4CYP2C19FOLH1
SCHEMBL17000184 0.78 CYP2A6 (0.34) CYP2A6CYP2B6CYP3A4CYP2C19FOLH1
SCHEMBL7999672 0.78 CYP11B2 (0.35) CYP2A6CYP2B6CYP3A4CYP2C19FOLH1
SCHEMBL29790356 0.78 CYP2A6 (0.38) CYP2A6CYP2B6CYP3A4CYP2C19FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
CN-101679396-B Triazolylaminopyrimidine compounds LILLY CO ELI 2012-06-06 CN disclosed
CN-101568539-B Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI 2012-04-25 CN disclosed
US-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-8063212-B2 Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
EP-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed
EP-1846394-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-10-26 EP disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY 2010-04-01 US disclosed
CN-101679396-A Triazolylaminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
CN-101568539-A Imidazolidinonyl aminopyrimidine compounds for the treatment of cancer LILLY CO ELI (US) 2009-10-28 CN disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US disclosed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 US disclosed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK ADRB2 1192/4885PDE2A 2887/4885CYP2A6 3291/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 ADRB2 1654/4885PDE2A 765/4885CYP2A6 3705/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 ADRB2 95/4885PDE2A 992/4885CYP2A6 209/4885
US-20100081641-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER PLK1, AURKC, BUB1B ADRB2 2818/4885PDE2A 2773/4885CYP2A6 4766/4885
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP ADRB2 3763/4885PDE2A 2651/4885CYP2A6 1744/4885

“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.