SCHEMBL19640219

SCHEMBL19640219

CC(O)(c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ CYP19A1 P11511 2/20 0.55
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ PPARG P37231 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ IDH1 O75874 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
SCHEMBL17894223 1.00 MEN1 (0.62) MEN1KMT2ACYP19A1HTTMAPT
SCHEMBL17894224 1.00 MEN1 (0.62) MEN1KMT2ACYP19A1HTTMAPT
SCHEMBL19130784 0.85 TSHR (0.50) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL19124474 0.85 TSHR (0.50) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL4355730 0.83 MEN1 (0.62) MEN1KMT2ACYP19A1HTTTDP1
SCHEMBL11370942 0.80 P2RX1 (0.47) MEN1KMT2ACYP19A1HTTMAPT
SCHEMBL16144309 0.79 KMT2A (0.82) MEN1KMT2ACYP19A1HTTNPSR1
SCHEMBL9906175 0.79 KMT2A (0.82) MEN1KMT2ACYP19A1HTTNPSR1
SCHEMBL4062666 0.79 KMT2A (0.82) MEN1KMT2ACYP19A1HTTNPSR1
SCHEMBL26402 0.79 MEN1 (1.00) MEN1KMT2ACYP19A1HTTNPSR1

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-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 — — EP disclosed
EP-3240546-B1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME (US) 2020-10-21 — — EP disclosed
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-19 — — US disclosed
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 — — US disclosed
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — 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 (3 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-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors BTK, SYK, ABL1 MEN1 4088/4885KMT2A 684/4885CYP19A1 2696/4885
US-20180118766-A1 BTK INHIBITORS BTK, SYK, LYN MEN1 2908/4885KMT2A 1263/4885CYP19A1 1945/4885
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 MEN1 4088/4885KMT2A 684/4885CYP19A1 2696/4885

“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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