SCHEMBL21208568

SCHEMBL21208568

CN(C)CCNc1nc2cc(Cl)cnc2n2c1nc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAT2A P31153 1/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ TOP2A P11388 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALPG P10696 1/20 0.40

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
SCHEMBL21208500 0.83 KMT2A (0.47) IKBKBCHUKKDM4EKMT2AMEN1
SCHEMBL21208516 0.83 KDM4E (0.45) IKBKBCHUKKDM4EKMT2AMEN1
SCHEMBL21208536 0.81 IKBKB (0.54) IKBKBCHUKKDM4EKMT2AMEN1
SCHEMBL21208490 0.78 KMT2A (0.48) IKBKBCHUKKDM4EKMT2AMEN1
SCHEMBL21208499 0.78 KDM4E (0.48) IKBKBCHUKKDM4EKMT2AMEN1
SCHEMBL21208480 0.75 TYMS (0.47) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL10512619 0.73 MAT2A (0.48) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL21208524 0.73 KDM4E (0.39) KDM4EKMT2AMEN1CASP1ALDH1A1
SCHEMBL10513547 0.71 MAT2A (0.48) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL8295232 0.70 IKBKB (0.76) IKBKBCHUKBRD4

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-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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 (3 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 IKBKB 853/4885CHUK 368/4885KDM4E 1957/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 IKBKB 1148/4885CHUK 608/4885KDM4E 2839/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 IKBKB 998/4885CHUK 495/4885KDM4E 2459/4885

“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.

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