SCHEMBL21208536

SCHEMBL21208536

Clc1cnc2c(c1)nc(NCCN1CCCC1)c1nc3ccccc3n12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.54
▸ CHUK O15111 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TOP2A P11388 1/20 0.45
▸ MEN1 O00255 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ACP1 P24666 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ ACHE P22303 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
SCHEMBL21208428 0.83 IKBKB (0.51) IKBKBCHUKKDM4EHPGDCASP1
SCHEMBL21208568 0.81 IKBKB (0.47) IKBKBCHUKKDM4ECASP1GAA
SCHEMBL21208493 0.79 KDM4E (0.48) IKBKBCHUKKDM4EHPGDCASP1
SCHEMBL21208501 0.78 KDM4E (0.52) IKBKBCHUKKDM4EHPGDCASP1
SCHEMBL21208480 0.73 TYMS (0.47) KDM4EHPGDHSD17B10GAAKMT2A
SCHEMBL21208427 0.72 HRH4 (0.52) HRH3
SCHEMBL21208524 0.71 KDM4E (0.39) KDM4EHPGDCASP1HSD17B10GAA
SCHEMBL5076827 0.70 IKBKB (1.00) IKBKBCHUKKDM4EHPGDCASP1
SCHEMBL19365198 0.69 KDM4E (0.55) IKBKBCHUKKDM4EHPGDCASP1
SCHEMBL4089490 0.68 TOP2A (0.63) HSD17B10KMT2AMAPTUSP2TOP2A

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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