SCHEMBL20720752

SCHEMBL20720752

CCN(CC)CCCOc1cc2nc3ccccc3c(NC)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 10/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ EHMT2 Q96KQ7 3/20 0.47
▸ EGFR P00533 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL19260559 0.92 KDM4E (0.45) CACNA2D1KDM4EALDH1A1USP2ALOX15
SCHEMBL19260524 0.89 EGFR (0.50) KDM4EEHMT2EGFRPOLBKMT2A
SCHEMBL20734756 0.85 EGFR (0.50) CACNA2D1KDM4EALDH1A1USP2ALOX15
Trifluoroacetic Acid SCHEMBL19260557 0.81 EGFR (0.44) KDM4EMAPK1EHMT2EGFRPOLB
SCHEMBL19260688 0.79 EHMT2 (0.56) EHMT2
SCHEMBL20720605 0.78 SPIN1 (0.56) EHMT2
Trifluoroacetic Acid SCHEMBL19260723 0.77 EGFR (0.46) KDM4EALDH1A1USP2ALOX15MAPK1
SCHEMBL19260599 0.77 EHMT2 (0.47) MAPK1EHMT2EGFR
SCHEMBL19260538 0.77 MAP2K1 (0.61) KDM4EMAPK1EGFRPOLBGAA
SCHEMBL19260533 0.76 MAP2K1 (0.46) MAPK1EHMT2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254651-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-22 — — US claimed
EP-3416963-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-28 — — EP claimed
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2019-02-14 — — US claimed
US-11584734-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-02-21 — — US disclosed
US-11254651-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-22 — — US disclosed
US-20200361896-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2020-11-19 — — US disclosed
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 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-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 CACNA2D1 1539/4885KDM4E 42/4885ALDH1A1 1471/4885
US-11584734-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 CACNA2D1 771/4885KDM4E 52/4885ALDH1A1 1093/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 CACNA2D1 1539/4885KDM4E 42/4885ALDH1A1 1471/4885
US-20200361896-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 CACNA2D1 771/4885KDM4E 52/4885ALDH1A1 1093/4885

“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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