SCHEMBL20720655

SCHEMBL20720655

COc1c(OCCCN2CCOCC2)cc2nc3ccccc3c(NC(C)C)c2c1OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
AURKA O14965 6/20 0.41
AURKB Q96GD4 5/20 0.41
MAPT P10636 2/20 0.41
SRC P12931 2/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
TTK P33981 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
BTK Q06187 1/20 0.41
TYRO3 Q06418 1/20 0.41

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
SCHEMBL20720751 0.88 CACNA2D1 (0.46) MET
SCHEMBL20720718 0.88 CACNA2D1 (0.46) MET
SCHEMBL20720682 0.86 EHMT2 (0.43)
SCHEMBL20720657 0.85 CACNA2D1 (0.44) KDRAVPR1B
SCHEMBL20720618 0.83 EHMT2 (0.38) AVPR1B
Trifluoroacetic Acid SCHEMBL19260764 0.83 EGFR (0.51) AURKAAURKBMAPTSRCROCK2
SCHEMBL20720729 0.83 EHMT2 (0.52)
SCHEMBL20720716 0.82 EHMT2 (0.50)
SCHEMBL20720717 0.81 LCK (0.40) MAPTALDH1A1LCKTNK2KDM4E
SCHEMBL20720768 0.79 AVPR1B (0.43) AVPR1B

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 FLT3 3621/4885AURKA 3424/4885AURKB 2688/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 FLT3 3621/4885AURKA 3424/4885AURKB 2688/4885

“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.