SCHEMBL21721768

SCHEMBL21721768

CC(C)c1c(-c2ccccc2Cl)[nH]c2ncnn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 4/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
RET P07949 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
PDE1B Q01064 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL31676969 1.00 KDM5B (0.46) KDM5BMEN1KMT2AHPGDLMNA
SCHEMBL20074114 0.85 KDM5B (0.46) KDM5BMEN1KMT2AHPGDLMNA
SCHEMBL31676998 0.85 KDM5B (0.46) KDM5BMEN1KMT2AHPGDLMNA
SCHEMBL20074305 0.84 KDM5B (0.36) KDM5BMEN1KMT2AHPGDLMNA
SCHEMBL31676958 0.83 KDM5A (0.40) KDM5BTSHRTDP1
SCHEMBL20074277 0.82 KDM5B (0.42) KDM5BMEN1KMT2AHPGDLMNA
SCHEMBL20074303 0.80 CCNB2 (0.47) KDM5BMEN1KMT2AHPGDEGLN2
SCHEMBL21720950 0.79 KDM5B (0.50) KDM5BHPGDSMN1; SMN2TSHRMAPK14
SCHEMBL21721750 0.79 KDM5B (0.49) KDM5BMEN1KMT2AHPGDEGLN2
SCHEMBL31676999 0.79 KDM5B (0.49) KDM5BMEN1KMT2AHPGDEGLN2

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 2 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

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 KDM5B 2/4885MEN1 2010/4885KMT2A 26/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885MEN1 2010/4885KMT2A 26/4885

“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.