SCHEMBL20399762

SCHEMBL20399762

Cc1cnc(CN)c(N2CCC(C)(NC(=O)O)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.33
▸ HDAC4 P56524 5/20 0.33
▸ HDAC1 Q13547 5/20 0.33
▸ HDAC7 Q8WUI4 5/20 0.33
▸ HDAC2 Q92769 5/20 0.33
▸ HDAC10 Q969S8 5/20 0.33
▸ HDAC11 Q96DB2 5/20 0.33
▸ HDAC8 Q9BY41 5/20 0.33
▸ HDAC6 Q9UBN7 5/20 0.33
▸ HDAC9 Q9UKV0 5/20 0.33
▸ HDAC5 Q9UQL6 5/20 0.33
▸ PTPN11 Q06124 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ CNR1 P21554 3/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ PIK3CA P42336 2/20 0.31

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
SCHEMBL23500707 0.90 PTPN11 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20399737 0.86 RET (0.41) CNR1PIK3CACNR2
SCHEMBL30561170 0.86 RET (0.41) CNR1PIK3CACNR2
SCHEMBL28945530 0.80 PTPN11 (0.32) PTPN11ALDH1A1HPGDKDM4ESCN10A
SCHEMBL29167776 0.80 — —
SCHEMBL23063935 0.79 PTPN11 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29167774 0.78 — —
SCHEMBL23509006 0.78 RET (0.41) CNR1PIK3CACNR2
SCHEMBL20400081 0.78 RET (0.35) ALDH1A1HPGDKDM4EHSD17B10OPRK1
SCHEMBL23500876 0.78 CNR2 (0.35) PIK3CACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-06-20 — — US disclosed
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-08-29 — — US disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 — — WO disclosed
WO-2018136265-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 — — 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 (2 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-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPN2 HDAC3 1112/4885HDAC4 1838/4885HDAC1 872/4885
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN4 HDAC3 1008/4885HDAC4 837/4885HDAC1 760/4885

“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.

Send feedback