SCHEMBL9125664

SCHEMBL9125664

CC(Oc1cccnc1N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.53
▸ LTA4H P09960 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ JAK2 O60674 3/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ HTR6 P50406 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DHFR P00374 2/20 0.39
▸ FFAR2 O15552 1/20 0.38

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
SCHEMBL29857687 1.00 MET (0.53) METLTA4HMAPK14ADRA2AADRA2B
SCHEMBL1921437 0.80 MET (0.52) METLTA4HMAPK14ADRA2AADRA2B
SCHEMBL31738476 0.79 JAK2 (0.47) METLTA4HMAPK14ADRA2AADRA2B
SCHEMBL31413306 0.78 MEN1 (0.56) POLBNPC1RAB9AHTTSMN1; SMN2
SCHEMBL15779489 0.76 MET (0.71) METLTA4HMAPK14ADRA2AADRA2B
SCHEMBL12993400 0.76 JAK2 (0.49) METJAK2NUDT1NOS3NOS1
SCHEMBL29857651 0.75 MET (0.55) METPOLBJAK2NUDT1RAB9A
SCHEMBL10215048 0.75 MET (0.55) METPOLBJAK2NUDT1RAB9A
SCHEMBL29858073 0.75 MET (0.55) METPOLBJAK2NUDT1RAB9A
SCHEMBL10215031 0.75 JAK2 (0.48) METADRA2AADRA2BADRA2CJAK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017575-B Method for synthesizing crizotinib intermediate by using microchannel reactor 黑龙江鑫创生物科技开发有限公司 2021-03-30 — — CN disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 — — US disclosed
US-8785632-B2 Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 — — US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-7858643-B2 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) AGOURON PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US disclosed
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 — — US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 — — EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 — — 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 (4 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-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) MET, HGF, ALK MET 1/4885LTA4H 4238/4885MAPK14 267/4885
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MET 1/4885LTA4H 3951/4885MAPK14 81/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MET 1/4885LTA4H 3789/4885MAPK14 152/4885
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MET 1/4885LTA4H 3951/4885MAPK14 81/4885

“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.

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