SCHEMBL213422

SCHEMBL213422

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2ccc(OCC3CCNCC3)cc2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1A O60341 5/20 0.38
RCOR1 Q9UKL0 1/20 0.38
CHEK2 O96017 1/20 0.37
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
BTK Q06187 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
TP53 P04637 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
F10 P00742 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
Hydrochloric Acid SCHEMBL215124 0.87 KDM1A (0.39) RAB9AMAPTSMN1; SMN2KDM1ARCOR1
SCHEMBL214814 0.86 CHEK2 (0.40) KDM1ACHEK2MEN1KMT2ANOS3
Hydrochloric Acid SCHEMBL215295 0.85 CHEK2 (0.40) KDM1ACHEK2MEN1KMT2ANOS3
SCHEMBL215161 0.78 KDM1A (0.39) RAB9ASMN1; SMN2KDM1ARCOR1CHEK2
Hydrochloric Acid SCHEMBL215995 0.77 KDM1A (0.40) RAB9ASMN1; SMN2KDM1ARCOR1CHEK2
SCHEMBL213423 0.76 MAPT (0.48) RAB9AMAPTSMN1; SMN2KDM1AMEN1
SCHEMBL212963 0.76 PIM3 (0.42) KDM1ARCOR1CHEK2MEN1KMT2A
Hydrochloric Acid SCHEMBL213989 0.76 PIM3 (0.41) KDM1ARCOR1MEN1KMT2ANOS3
SCHEMBL214620 0.74 CHEK2 (0.39) RAB9AKDM1ACHEK2MEN1KMT2A
SCHEMBL214374 0.74 CHEK2 (0.39) RAB9ACHEK2ITGB3ITGA2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 RAB9A 2213/4885MAPT 2138/4885SMN1; SMN2 2516/4885

“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.