SCHEMBL20720729

SCHEMBL20720729

COc1c(OCCCN2CCCC2)cc2nc3ccccc3c(NC3CCN(C(C)C)CC3)c2c1OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 15/20 0.52
SPIN1 Q9Y657 6/20 0.49
EHMT1 Q9H9B1 6/20 0.49
CHD1 O14646 2/20 0.47
DNMT1 P26358 2/20 0.47
NSD2 O96028 2/20 0.47
KDM1A O60341 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
PRMT1 Q99873 1/20 0.47

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) EHMT2EHMT1DNMT1PRMT1
SCHEMBL20720682 0.90 EHMT2 (0.43) EHMT2DNMT1NSD2
SCHEMBL20720718 0.85 CACNA2D1 (0.46) EHMT2EHMT1ADRA1A
Trifluoroacetic Acid SCHEMBL19260774 0.85 EHMT2 (0.67) EHMT2SPIN1EHMT1CHD1DNMT1
SCHEMBL20720751 0.85 CACNA2D1 (0.46) EHMT2EHMT1ADRA1A
SCHEMBL20336776 0.84 SPIN1 (0.52) EHMT2SPIN1EHMT1CHD1DNMT1
SCHEMBL20720768 0.83 AVPR1B (0.43) EHMT2DNMT1NSD2
SCHEMBL20720655 0.83 FLT3 (0.42)
SCHEMBL20720618 0.81 EHMT2 (0.38) EHMT2EHMT1DNMT1NSD2
SCHEMBL20720717 0.81 LCK (0.40) EHMT2EHMT1DNMT1

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 2/4885SPIN1 599/4885EHMT1 1/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 EHMT2 2/4885SPIN1 599/4885EHMT1 1/4885

“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.