SCHEMBL20720682

SCHEMBL20720682

COc1c(OCCCN2CCCC2)cc2nc3ccccc3c(NC3CCOCC3)c2c1OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 19/20 0.43
DNMT1 P26358 7/20 0.43
NSD2 O96028 3/20 0.41
HTR4 Q13639 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
SCHEMBL20720716 0.93 EHMT2 (0.50) EHMT2DNMT1
SCHEMBL20720768 0.92 AVPR1B (0.43) EHMT2DNMT1NSD2
SCHEMBL20720729 0.90 EHMT2 (0.52) EHMT2DNMT1NSD2
SCHEMBL20720618 0.88 EHMT2 (0.38) EHMT2DNMT1NSD2HTR4
SCHEMBL20720655 0.86 FLT3 (0.42)
SCHEMBL20720717 0.85 LCK (0.40) EHMT2DNMT1HTR4
Trifluoroacetic Acid SCHEMBL20720681 0.85 EHMT2 (0.55) EHMT2DNMT1NSD2
SCHEMBL20720718 0.84 CACNA2D1 (0.46) EHMT2HTR4
SCHEMBL20720751 0.84 CACNA2D1 (0.46) EHMT2HTR4
SCHEMBL20336970 0.83 EHMT2 (0.44) EHMT2DNMT1NSD2

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-11254651-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-22 US disclosed
EP-3416963-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-28 EP 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 (2 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 EHMT2 2/4885DNMT1 32/4885NSD2 127/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 EHMT2 2/4885DNMT1 32/4885NSD2 127/4885

“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.