SCHEMBL21208428

SCHEMBL21208428

c1ccc2c(c1)nc1c(NCCN3CCCC3)nc3cncnc3n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.51
▸ CHUK O15111 2/20 0.51
▸ HSD17B10 Q99714 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ CASP1 P29466 3/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ACP1 P24666 2/20 0.41
▸ TSHR P16473 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 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
SCHEMBL21208536 0.83 IKBKB (0.54) IKBKBCHUKHSD17B10KDM4EHPGD
SCHEMBL21208493 0.81 KDM4E (0.48) IKBKBCHUKHSD17B10KDM4EHPGD
SCHEMBL21208516 0.81 KDM4E (0.45) IKBKBCHUKKDM4ECASP1CASP7
SCHEMBL21208501 0.80 KDM4E (0.52) IKBKBCHUKHSD17B10KDM4EHPGD
SCHEMBL21208537 0.71 EGFR (0.40) HSD17B10KDM4EHPGDCASP1CASP7
SCHEMBL21208545 0.71 HRH4 (0.54) HSD17B10ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL21208465 0.70 TYMS (0.47) HSD17B10KDM4EHPGDCASP1CASP7
SCHEMBL21208535 0.70 EGFR (0.39) HSD17B10KDM4EHPGDCASP1CASP7
SCHEMBL18057521 0.70 POLR1A (0.40) KDM4EHPGDALDH1A1KMT2AMAPT
SCHEMBL19365198 0.69 KDM4E (0.55) IKBKBCHUKHSD17B10KDM4EHPGD

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 368/4885HSD17B10 1104/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 IKBKB 1148/4885CHUK 608/4885HSD17B10 1289/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 IKBKB 998/4885CHUK 495/4885HSD17B10 1404/4885

“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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