SCHEMBL214697

SCHEMBL214697

Cc1ccc(OC2CCNCC2)cc1NC(=O)c1c(C(N)=O)ncn1-c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.42
MAPT P10636 8/20 0.40
CHEK2 O96017 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAOA P21397 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RCOR1 Q9UKL0 2/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL214143 0.94 KDM1A (0.42) KDM1AMAPTCHEK2TP53SMN1; SMN2
SCHEMBL214470 0.90 KDM1A (0.44) KDM1AMAPTCHEK2MAOARCOR1
Hydrochloric Acid SCHEMBL213798 0.89 KDM1A (0.43) KDM1AMAPTCHEK2MAOARCOR1
SCHEMBL215754 0.89 KDM1A (0.42) KDM1AMAPTCHEK2TP53MAOA
Hydrochloric Acid SCHEMBL213648 0.88 KDM1A (0.42) KDM1AMAPTCHEK2TP53MAOA
SCHEMBL216247 0.83 CHEK2 (0.43) KDM1AMAPTCHEK2PLK1PLK3
SCHEMBL214139 0.82 MAPT (0.49) MAPTMAPK14SMOTP53SMN1; SMN2
SCHEMBL213716 0.81 MAPT (0.44) KDM1AMAPTCHEK2SMN1; SMN2RCOR1
Hydrochloric Acid SCHEMBL216264 0.80 MAPT (0.43) KDM1AMAPTCHEK2SMN1; SMN2RCOR1
SCHEMBL216140 0.79 CHEK2 (0.41) KDM1AMAPTCHEK2TP53WNT1

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 claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
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

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 KDM1A 963/4885MAPT 2138/4885CHEK2 412/4885

“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.