SCHEMBL17621540

SCHEMBL17621540

Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1-c1ccc(F)cc1OCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 12/20 0.55
▸ KDM5A P29375 3/20 0.52
▸ PHF8 Q9UPP1 7/20 0.52
▸ KDM2B Q8NHM5 5/20 0.52
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM5B Q9UGL1 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
SCHEMBL17621530 0.99 KDM4C (0.56) KDM4CKDM5APHF8KDM2BPRKAB2
SCHEMBL17621533 0.93 KDM4C (0.54) KDM4CKDM5APHF8KDM2B
SCHEMBL17621787 0.90 KDM4C (0.44) KDM4CKDM5APHF8KDM2BPRKAB2
SCHEMBL17693148 0.90 KDM4C (0.57) KDM4CKDM5APHF8KDM2BPRKAB2
SCHEMBL17621786 0.89 KDM4C (0.45) KDM4CKDM5APHF8KDM2BPRKAB2
SCHEMBL17693149 0.89 KDM4C (0.58) KDM4CKDM5APHF8KDM2BPRKAB2
SCHEMBL17621525 0.89 KDM4C (0.64) KDM4CKDM5APHF8KDM2BKDM2A
SCHEMBL17621532 0.88 KDM4C (0.59) KDM4CKDM5APHF8KDM2BKDM2A
SCHEMBL17621528 0.88 KDM4C (0.57) KDM4CKDM5APHF8KDM2BKDM2A
SCHEMBL17621529 0.87 KDM4C (0.59) KDM4CKDM5APHF8KDM2BKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193881-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-02-09 — — EP disclosed
US-20170240529-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-08-24 — — US disclosed
US-9676770-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-06-13 — — US disclosed
US-20160108033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 — — US disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO 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-20170240529-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 14/4885KDM5A 10/4885PHF8 35/4885
US-20160108033-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 14/4885KDM5A 10/4885PHF8 35/4885

“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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