SCHEMBL1100989

SCHEMBL1100989

c1ccc(COc2cccc3cccnc23)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
SYK P43405 1/20 0.52
AURKB Q96GD4 1/20 0.52
INCENP Q9NQS7 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL6027036 0.81 PDE10A (0.59) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2937858 0.81 NISCH (0.54) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1101199 0.81 NPC1 (0.77) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL29360828 0.81 NPC1 (0.77) RAB9ANPC1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4754679 0.80 NPC1 (0.74) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1101268 0.80 MEN1 (0.65) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL31236771 0.78 KDM4E (0.50) RAB9AKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL21465846 0.77 SYK (0.58) KDM4EALDH1A1SMN1; SMN2SYKAURKB
SCHEMBL6026657 0.77 NPC1 (0.74) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6026138 0.76 NPC1 (0.73) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US claimed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US disclosed
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
WO-2004048352-A2 2-CYANOPYRROLIDINES AND THEIR ANALOGUES AS DPP-IV INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 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 (2 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 RAB9A 3964/4885NPC1 3374/4885MEN1 4108/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 RAB9A 3964/4885NPC1 3374/4885MEN1 4108/4885

“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.