SCHEMBL20738848

SCHEMBL20738848

CCCCCCCC(CCCCCC)NCCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
KDM4E B2RXH2 2/20 0.44
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
BCHE P06276 4/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL19867108 1.00 CARM1 (0.47) CARM1PRMT6PRMT8KDM4ELTA4H
SCHEMBL19101393 1.00 CARM1 (0.47) CARM1PRMT6PRMT8KDM4ELTA4H
SCHEMBL21348493 0.93 CARM1 (0.44) CARM1PRMT6PRMT8KDM4ELTA4H
SCHEMBL15805642 0.93 GNAI3 (0.43) CARM1PRMT6PRMT8KDM4EGNAI3
SCHEMBL13976316 0.93 GNAI3 (0.43) CARM1PRMT6PRMT8KDM4EGNAI3
SCHEMBL26941612 0.92 CARM1 (0.41) CARM1PRMT6PRMT8KDM4ELTA4H
SCHEMBL21730510 0.90 HRH3 (0.44) CARM1PRMT6PRMT8KDM4ELTA4H
SCHEMBL21730428 0.90 HRH3 (0.44) CARM1PRMT6PRMT8KDM4ELTA4H
SCHEMBL9322214 0.89 HRH3 (0.47) CARM1PRMT6PRMT8KDM4ELTA4H
SCHEMBL9322304 0.88 CARM1 (0.41) CARM1PRMT6PRMT8KDM4ELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2019-02-14 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 (4 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-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 CARM1 1310/4885PRMT6 1066/4885PRMT8 1471/4885
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 CARM1 314/4885PRMT6 493/4885PRMT8 39/4885
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 CARM1 1512/4885PRMT6 985/4885PRMT8 1345/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 CARM1 1512/4885PRMT6 985/4885PRMT8 1345/4885

“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.