SCHEMBL20176980

SCHEMBL20176980

Cc1cnc(C(=O)Nc2ccncc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NT5E P21589 2/20 0.54
TYK2 P29597 3/20 0.53
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
RAB9A P51151 2/20 0.50
MDM2 Q00987 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
PRKCI P41743 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL20176881 0.84 TSHR (0.53) KDM4EL3MBTL1HTTSMN1; SMN2RAB9A
SCHEMBL20176883 0.82 NAMPT (0.66) HTTRAB9ANPC1PRKCILMNA
SCHEMBL19774580 0.77 KDM4E (0.67) KDM4EL3MBTL1NT5ETYK2HTT
SCHEMBL13947140 0.75 KDM4E (0.81) KDM4EL3MBTL1NT5ETYK2HTT
SCHEMBL18027790 0.75 KDM4E (0.64) KDM4EL3MBTL1HTTSMN1; SMN2RAB9A
SCHEMBL20176870 0.75 NPC1 (0.62) KDM4EL3MBTL1HTTSMN1; SMN2RAB9A
SCHEMBL28675587 0.74 KDM4E (0.49) KDM4EL3MBTL1NT5ETYK2HTT
SCHEMBL12017661 0.73 ROCK2 (0.68) KDM4EL3MBTL1NT5ETYK2HTT
SCHEMBL12124452 0.73 SMN1; SMN2 (0.57) KDM4EL3MBTL1NT5ETYK2HTT
SCHEMBL12017788 0.73 NT5E (0.59) KDM4EL3MBTL1NT5ETYK2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 KDM4E 2267/4885L3MBTL1 593/4885NT5E 4009/4885

“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.