SCHEMBL22437597

SCHEMBL22437597

Cc1cc(NC2CCN(C(=O)O)CC2)n2ncc(C(C)C)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.61
CDK7 P50613 4/20 0.61
CDK4 P11802 1/20 0.61
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NR2F2 P24468 1/20 0.47
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK2 P24941 9/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
CCNE1 P24864 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38

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
SCHEMBL28895475 0.92 CDK7 (0.57) CDK9CDK7CDK4MEN1KMT2A
SCHEMBL31064455 0.89 CDK9 (0.66) CDK9CDK7CDK4MEN1KMT2A
SCHEMBL22449329 0.88 CDK9 (0.49) CDK9CDK7CDK4CDK2GSK3B
SCHEMBL31063968 0.85 CDK9 (0.47) CDK9CDK7CDK4LMNACDK2
SCHEMBL23547517 0.81 CDK9 (0.45) CDK9CDK7CDK4CDK2
SCHEMBL20971693 0.81 CDK9 (0.66) CDK9CDK7CDK4MEN1KMT2A
SCHEMBL20971705 0.81 CDK9 (0.66) CDK9CDK7CDK4MEN1KMT2A
SCHEMBL20971708 0.81 CDK9 (0.49) CDK9CDK7CDK4MEN1KMT2A
SCHEMBL20971697 0.80 CDK4 (0.71) CDK9CDK7CDK4MEN1KMT2A
SCHEMBL20971698 0.80 CDK4 (0.71) CDK9CDK7CDK4MEN1KMT2A

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 7 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 claimed
CN-111344292-A Compounds for inhibiting CDK7 伊莱利利公司 2020-06-26 CN claimed
WO-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 WO disclosed
CN-111344292-B Compounds for inhibiting CDK7 伊莱利利公司 2022-06-03 CN 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

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-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 CDK9 2/4885CDK7 1/4885CDK4 7/4885

“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.