SCHEMBL214023

SCHEMBL214023

NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(=O)Nc1cccc2c1CCNC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.40
HDAC6 Q9UBN7 4/20 0.40
KDM1A O60341 1/20 0.35
SSTR4 P31391 1/20 0.34
LMNA P02545 1/20 0.34
ATR Q13535 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR3A P46098 1/20 0.33
CYP3A4 P08684 1/20 0.33
HDAC1 Q13547 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL215658 0.82 HDAC11 (0.43) HDAC11HDAC6KDM1ALMNAKDM4E
SCHEMBL213248 0.80 LCK (0.41) HDAC11HDAC6LMNAKDM4EMEN1
SCHEMBL214739 0.80 KMT2A (0.48) LMNAKDM4EMEN1ALDH1A1GAA
SCHEMBL213526 0.79 SMN1; SMN2 (0.45) LMNAKDM4EALDH1A1KMT2ACYP3A4
SCHEMBL213455 0.77 EGLN1 (0.42) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL216808 0.77 TP53 (0.42) LMNAKDM4EMEN1ALDH1A1MAPK1
SCHEMBL216500 0.75 CACNA1G (0.45) LMNAKDM4EMEN1ALDH1A1MAPK1
SCHEMBL214895 0.74 MAPT (0.41) LMNAKDM4EMEN1ALDH1A1MAPK1
SCHEMBL215644 0.74 KDM4E (0.41) LMNAKDM4EMEN1ALDH1A1GAA
SCHEMBL214470 0.74 KDM1A (0.44) KDM1ALMNA

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 3 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-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 HDAC11 2428/4885HDAC6 624/4885KDM1A 963/4885

“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.