SCHEMBL24068030

SCHEMBL24068030

C=C(C)c1cnc2c(Cl)cc(C(F)(F)F)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NFKB1 P19838 3/20 0.36
▸ NFKB2 Q00653 3/20 0.36
▸ RELA Q04206 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ GAA P10253 3/20 0.36

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
SCHEMBL24068077 0.90 MEN1 (0.33) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL24068172 0.81 KDM4E (0.32) ALDH1A1MAPTCYP3A4KDM4ELMNA
SCHEMBL24068092 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL25730229 0.76 RXRA (0.31) —
SCHEMBL25730386 0.75 — —
SCHEMBL24068093 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL24068062 0.74 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL25280670 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL24068175 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL30339111 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667257-B Compounds for inhibiting CDK7 伊莱利利公司 2024-06-11 — — CN disclosed
US-20230203031-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 ELI LILLY AND COMPANY 2023-06-29 — — US disclosed
US-20230203031-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 ELI LILLY AND COMPANY 2023-06-29 — — US disclosed
EP-4157840-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 Eli Lilly and Company (US) 2023-04-05 — — EP disclosed
CN-115667257-A Compounds for inhibiting CDK7 伊莱利利公司 2023-01-31 — — CN disclosed
WO-2021242602-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 ELI LILLY AND COMPANY (US) 2021-12-02 — — 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 (1 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-20230203031-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 CDK7, CDK3, CCNH SMN1; SMN2 2349/4885ALDH1A1 3476/4885NPC1 3062/4885

“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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