SCHEMBL214773

SCHEMBL214773

CN(Cc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRK1 P41145 1/20 0.40
ACKR3 P25106 1/20 0.40
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
ABL1 P00519 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 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
SCHEMBL212932 0.88 PIK3CD (0.36) KDM4EALDH1A1TDP1MAPTNPSR1
SCHEMBL214872 0.84 MAPT (0.42) KDM4EALDH1A1TDP1MAPTNPSR1
SCHEMBL215043 0.82 KDM4E (0.38) KDM4EALDH1A1TDP1MAPTNPSR1
SCHEMBL214164 0.81 ALDH1A1 (0.38) KDM4EALDH1A1TDP1MAPTHTT
SCHEMBL214714 0.79 MAPT (0.44) KDM4EALDH1A1TDP1MAPTNPSR1
SCHEMBL216885 0.78 CNR1 (0.42) KDM4ELMNAHTTSMN1; SMN2CYP3A4
SCHEMBL215115 0.78 SMN1; SMN2 (0.48) ALDH1A1TDP1MAPTNPSR1LMNA
SCHEMBL213906 0.78 CNR1 (0.44) MAPTNPSR1LMNAPOLBHTT
SCHEMBL214646 0.77 EPHB3 (0.44) KDM4EALDH1A1TDP1MAPTNPSR1
SCHEMBL213795 0.77 HSD17B10 (0.49) KDM4EALDH1A1MAPTLMNAPOLB

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 KDM4E 952/4885ALDH1A1 4295/4885TDP1 3233/4885

“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.