SCHEMBL21266988

SCHEMBL21266988

CC(C)c1ccc(CN(C)C(N)=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33

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
SCHEMBL24632657 0.80 SMN1; SMN2 (0.44) LMNADYRK1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18291725 0.80 GABRP (0.53) DYRK1ACPB2SMN1; SMN2
SCHEMBL12985980 0.79 CHRNB2 (0.44) PANK3S1PR2S1PR3ESR1ESR2
SCHEMBL20249222 0.76 RIPK1 (0.39) DYRK1AALDH1A1KDM4ESMN1; SMN2RIPK1
SCHEMBL21267596 0.75 SLC22A12 (0.43) PANK3LMNADYRK1AESR1ESR2
SCHEMBL18291549 0.74 GRIA2 (0.38) PANK3S1PR2S1PR3ESR1ESR2
SCHEMBL24760247 0.72 PANK3 (0.47) PANK3ESR1ESR2CPB2ALDH1A1
SCHEMBL5513354 0.72 GABRP (0.56) PANK3LMNAESR1ESR2HPGD
SCHEMBL23733487 0.72 HRH3 (0.39) ESR1ESR2ALDH1A1KDM4ECHRNB2
SCHEMBL24760211 0.71 PANK3 (0.46) PANK3LMNAESR1ESR2CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 — — US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 — — 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 PANK3 488/4885LMNA 2478/4885DYRK1A 1026/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PANK3 475/4885LMNA 3004/4885DYRK1A 952/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PANK3 475/4885LMNA 3004/4885DYRK1A 952/4885

“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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