SCHEMBL4436882

SCHEMBL4436882

Cc1ccccc1-c1ncccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA2A P29274 1/20 0.45
CYP2A6 P11509 1/20 0.42
LMNA P02545 2/20 0.41
PTPRC P08575 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
PTPN13 Q12923 1/20 0.41
TDP2 O95551 2/20 0.41
NSD2 O96028 2/20 0.41
PAX8 Q06710 2/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL21681651 0.89 NOS3 (0.47) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL21681652 0.85 NOS3 (0.47) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL6365641 0.85 NOS3 (0.50) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL4160810 0.84 CYP2A6 (0.52) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL28309616 0.82 PTPRC (0.50) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL28996531 0.80 PDK2 (0.42) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL2642064 0.80 NOS3 (0.54) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL16053280 0.79 ADORA2A (0.44) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL19463671 0.78 CD44 (0.50) NOS3NOS1NOS2TDP1CYP3A4
SCHEMBL21681654 0.78 NOS3 (0.43) NOS3NOS1NOS2TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
CN-103476767-A Heterocyclic compounds as PI3 kinase inhibitors HOFFMANN LA ROCHE 2013-12-25 CN disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
CN-1137523-A Indazoles and use thereof MITSUBISHI CHEM CORP (JP) 1996-12-11 CN 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 (1 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 NOS3 2670/4885NOS1 2655/4885NOS2 2597/4885

“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.