SCHEMBL20074285

SCHEMBL20074285

O=c1cc(C(F)(F)F)[nH]c2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
BCAT2 O15382 1/20 0.33
BCAT1 P54687 1/20 0.33
RAD51 Q06609 1/20 0.33

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
SCHEMBL15083750 0.74 TSHR (0.43) ALDH1A1KDM4ESMN1; SMN2TSHRTDP1
SCHEMBL12952949 0.71 KDM4E (0.41) ALDH1A1KDM4ECYP2C9SMN1; SMN2CYP2C19
SCHEMBL20075840 0.71 KDM4E (0.41) ALDH1A1KDM4ECYP2C9SMN1; SMN2CYP2C19
SCHEMBL20074180 0.70 TSHR (0.45) ALDH1A1KDM4ESMN1; SMN2TSHRTDP1
SCHEMBL20074195 0.69 LMNA (0.35) TSHRTDP1LMNAPKMHPGD
SCHEMBL20074182 0.68 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2CYP2C19TSHR
SCHEMBL31677033 0.68 TSHR (0.36) ALDH1A1KDM4ESMN1; SMN2TSHRTDP1
SCHEMBL2197782 0.67 LMNA (0.47) TDP1LMNAPKMHPGDMEN1
SCHEMBL20074201 0.67 CDC7 (0.40) ALDH1A1KDM4ESMN1; SMN2TDP1LMNA
SCHEMBL20074296 0.66 CHEK1 (0.42) ALDH1A1KDM4ESMN1; SMN2TSHRHPGD

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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C ALDH1A1 1399/4885KDM4E 11/4885CYP2C9 1869/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C ALDH1A1 1399/4885KDM4E 11/4885CYP2C9 1869/4885

“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.