SCHEMBL21208604

SCHEMBL21208604

O=c1[nH]c2ccc(NCCN3CCCC3)nc2n2c1nc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CASP1 P29466 3/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ TSHR P16473 3/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ BRSK1 Q8TDC3 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39

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
SCHEMBL21208540 0.82 PARP1 (0.43) PARP1KDM4EHSD17B10CASP1CASP7
SCHEMBL12750870 0.74 PARP1 (0.80) PARP1
SCHEMBL21208437 0.72 ZAP70 (0.41) KDM4EHSD17B10GAAHPGDALDH1A1
SCHEMBL21195069 0.71 PARP1 (0.51) PARP1KDM4EALDH1A1
SCHEMBL28309631 0.70 HTR1A (0.62) IRAK4ACHEACP1HTR1ATOP2A
SCHEMBL19365079 0.69 KDM4E (0.45) KDM4EHSD17B10GAAHPGDCASP1
SCHEMBL21208493 0.69 KDM4E (0.48) KDM4EHSD17B10GAAHPGDCASP1
SCHEMBL17254980 0.69 KDM4E (0.49) PARP1KDM4EHSD17B10GAAHPGD
SCHEMBL22045238 0.69 NPSR1 (0.55) KDM4EHPGDALDH1A1POLB
SCHEMBL21208525 0.68 PDE2A (0.52) PARP1KDM4EHPGDALDH1A1POLB

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 PARP1 153/4885KDM4E 1957/4885HSD17B10 1104/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885KDM4E 2839/4885HSD17B10 1289/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 PARP1 140/4885KDM4E 2459/4885HSD17B10 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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