SCHEMBL21399253

SCHEMBL21399253

CC(C)c1n[nH]c2nc(N3CCCCC3)[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PDE2A O00408 4/20 0.39
▸ ADORA1 P30542 4/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ TMIGD3 P0DMS9 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 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
SCHEMBL24866488 0.99 KDM4E (0.44) HPGDKDM4EMEN1KMT2ACYP1A2
SCHEMBL21399257 0.87 KDM4E (0.45) HPGDKDM4EMEN1KMT2ACYP1A2
SCHEMBL23173482 0.78 KDM4E (0.49) HPGDKDM4EMEN1KMT2ACYP1A2
SCHEMBL23172972 0.74 KDM5A (0.36) HPGDKDM4EMEN1KMT2ACYP1A2
SCHEMBL24097086 0.72 CDK4 (0.33) KDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL21388716 0.69 KDM4E (0.43) HPGDKDM4EMEN1KMT2ACYP1A2
SCHEMBL21399059 0.69 BCHE (0.49) HPGDKDM4EPDE2AADORA1ADORA2A
SCHEMBL6100817 0.67 MEN1 (0.47) HPGDKDM4EMEN1KMT2ACYP1A2
SCHEMBL21380926 0.67 HPGD (0.47) HPGDKDM4EMEN1KMT2ACYP1A2
SCHEMBL21398887 0.66 KDM4E (0.44) HPGDKDM4EMEN1KMT2ACYP1A2

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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 — — US disclosed
US-10561655-B2 SHP2 inhibitors and uses thereof SYNBLIA THERAPEUTICS, INC. (US) 2020-02-18 — — US disclosed
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2019-09-26 — — 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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 HPGD 2665/4885KDM4E 1596/4885MEN1 2793/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 HPGD 2665/4885KDM4E 1596/4885MEN1 2793/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 HPGD 2665/4885KDM4E 1596/4885MEN1 2793/4885

“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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