SCHEMBL1099803

SCHEMBL1099803

Nc1cc(NC2CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
NOS3 P29474 4/20 0.41
NOS2 P35228 4/20 0.41
NOS1 P29475 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
MALT1 Q9UDY8 3/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37

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
SCHEMBL24313847 0.93 KDM4E (0.42) SYKNOS3NOS2NOS1KDM4E
SCHEMBL18334824 0.80 GRM5 (0.34) SYKNOS3NOS2NOS1KDM4E
SCHEMBL31496582 0.77 SMARCA2 (0.45) KDM4EMEN1KMT2AMALT1ALDH1A1
SCHEMBL1098419 0.72 KDM4E (0.49) KDM4ESMYD3ALDH1A1L3MBTL1
SCHEMBL1099009 0.71
SCHEMBL29654114 0.71
SCHEMBL617304 0.71 MKNK1 (0.37) SCN9AJAK2TYK2HRH3
SCHEMBL19066170 0.70 MEN1 (0.51) KDM4EMEN1KMT2AMALT1ALDH1A1
SCHEMBL10372739 0.70 CTSD (0.48) KMT2AMALT1IRAK4
SCHEMBL4533550 0.69 KDM4E (0.52) KDM4EMEN1KMT2AMALT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2018-11-27 US disclosed
CN-105164125-B 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives 豪夫迈·罗氏有限公司 2017-10-13 CN disclosed
WO-2014177458-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
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
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO 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 (8 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-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 SYK 2611/4885NOS3 2434/4885NOS2 2874/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR SYK 2176/4885NOS3 1744/4885NOS2 2286/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 SYK 2833/4885NOS3 181/4885NOS2 490/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 SYK 2993/4885NOS3 213/4885NOS2 507/4885
US-10138234-B2 2-phenyl or 2-hetaryl imidazol[1,2-a]pyridine derivatives CNKSR1, HCAR3, HCAR1 SYK 1234/4885NOS3 2311/4885NOS2 2872/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 SYK 2893/4885NOS3 171/4885NOS2 505/4885
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 SYK 2611/4885NOS3 2434/4885NOS2 2874/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 SYK 2583/4885NOS3 2711/4885NOS2 3054/4885

“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.