SCHEMBL2185535

SCHEMBL2185535

Nc1cnc(-c2ccccc2F)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.46
NPC1 O15118 3/20 0.40
MPL P40238 1/20 0.40
DPP4 P27487 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADORA2A P29274 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
AURKA O14965 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
BACE1 P56817 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL2884342 0.83 DPP4 (0.43) DHPSNPC1MPLDPP4KDM4E
SCHEMBL27441536 0.80 NPC1 (0.43) DHPSNPC1KDM4EALDH1A1MEN1
SCHEMBL4141792 0.75 KMT2A (0.60) DHPSNPC1KDM4EALDH1A1ADORA2A
SCHEMBL319435 0.75 ATR (0.45) NPC1MPLALDH1A1ADORA2AHTT
SCHEMBL2185939 0.72 MPL (0.50) DHPSNPC1MPLKDM4EALDH1A1
SCHEMBL14068066 0.72 ATR (0.38) DHPSNPC1MPLDPP4KDM4E
SCHEMBL5788551 0.70 CYP1A2 (0.56) NPC1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL22578252 0.70 NPC1 (0.40) DHPSNPC1MPLKDM4EALDH1A1
SCHEMBL20598763 0.70 NPC1 (0.40) DHPSNPC1MPLDPP4KDM4E
SCHEMBL28114442 0.70 BACE1 (0.45) NPC1MPLDPP4KDM4EALDH1A1

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
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
CN-102203075-A Bicyclic kinase inhibitors NOVARTIS AG 2011-09-28 CN disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2342190-A1 BICYCLIC KINASE INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 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 (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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 DHPS 2086/4885NPC1 4431/4885MPL 683/4885

“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.