SCHEMBL20971707

SCHEMBL20971707

Cc1cc(=O)n2ncc(C(C)C)c2[nH]1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.31
▸ HPGD P15428 5/20 0.31
▸ SMN1; SMN2 Q16637 4/20 0.31
▸ KDM4E B2RXH2 4/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GFER P55789 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL15308503 0.80 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL16629031 0.77 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL16077836 0.73 PLAT (0.47) ALDH1A1HPGDKDM4EKMT2APOLB
SCHEMBL21483570 0.73 PLAT (0.36) —
SCHEMBL15308601 0.73 PLAT (0.47) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL15225145 0.71 — —
SCHEMBL5788398 0.71 PLAT (0.34) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL16535098 0.68 EGLN2 (0.40) —
SCHEMBL27223068 0.68 POLB (0.34) KMT2APOLB
SCHEMBL16946611 0.65 PLAT (0.56) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710446-B1 COMPOUNDS USEFUL FOR INHIBITING CDK7 LILLY CO ELI (US) 2022-07-20 — — EP disclosed
CN-111344292-B Compounds for inhibiting CDK7 伊莱利利公司 2022-06-03 — — CN disclosed
US-20210032257-A1 (E)-1-(4-(DIMETHYLAMINO)BUT-2-ENOYL)PYRROLIDIN-3-YL 4-((3-ISOPROPYL-5-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)AMINO)PIPERIDINE-1-CARBOXYLATE FOR INHIBITING CDK7 ELI LILLY AND COMPANY 2021-02-04 — — US disclosed
US-20210032257-A1 (E)-1-(4-(DIMETHYLAMINO)BUT-2-ENOYL)PYRROLIDIN-3-YL 4-((3-ISOPROPYL-5-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)AMINO)PIPERIDINE-1-CARBOXYLATE FOR INHIBITING CDK7 ELI LILLY AND COMPANY 2021-02-04 — — US disclosed
US-10787460-B2 (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 ELI LILLY AND COMPANY (US) 2020-09-29 — — US disclosed
US-10787460-B2 (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 ELI LILLY AND COMPANY (US) 2020-09-29 — — US disclosed
EP-3710446-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 Eli Lilly and Company (US) 2020-09-23 — — EP disclosed
CN-111344292-A Compounds for inhibiting CDK7 伊莱利利公司 2020-06-26 — — CN disclosed
US-10472370-B2 (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 ELI LILLY AND COMPANY (US) 2019-11-12 — — US disclosed
US-10472370-B2 (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 ELI LILLY AND COMPANY (US) 2019-11-12 — — US disclosed
US-20190144456-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 ELI LILLY AND COMPANY 2019-05-16 — — US disclosed
US-20190144456-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 ELI LILLY AND COMPANY 2019-05-16 — — 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 (4 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-20190144456-A1 COMPOUNDS USEFUL FOR INHIBITING CDK7 CDK7, CDK17, CDK8 ALDH1A1 3836/4885HPGD 2946/4885SMN1; SMN2 1888/4885
US-10472370-B2 (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 CDK7, CDK9, CDK8 ALDH1A1 2171/4885HPGD 3112/4885SMN1; SMN2 1665/4885
US-10787460-B2 (E)-1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl 4-((3-isopropyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino)piperidine-1-carboxylate for inhibiting CDK7 CDK7, CDK9, CDK8 ALDH1A1 2171/4885HPGD 3112/4885SMN1; SMN2 1665/4885
US-20210032257-A1 (E)-1-(4-(DIMETHYLAMINO)BUT-2-ENOYL)PYRROLIDIN-3-YL 4-((3-ISOPROPYL-5-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)AMINO)PIPERIDINE-1-CARBOXYLATE FOR INHIBITING CDK7 CDK7, CDK9, CDK8 ALDH1A1 2171/4885HPGD 3112/4885SMN1; SMN2 1665/4885

“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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