SCHEMBL22980418

SCHEMBL22980418

Brc1c[nH]c2nccc-2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.38
CDK5R1 Q15078 10/20 0.38
CDK2 P24941 3/20 0.38
CCNT1 O60563 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK9 P50750 2/20 0.38
CCNA1 P78396 2/20 0.38
GSK3B P49841 7/20 0.35
CCNB2 O95067 6/20 0.35
CDK1 P06493 6/20 0.35
CCNB1 P14635 6/20 0.35
CCNB3 Q8WWL7 6/20 0.35
PRKACA P17612 5/20 0.35
PRKACG P22612 5/20 0.35
PRKACB P22694 5/20 0.35
IDO1 P14902 1/20 0.34
CLK1 P49759 5/20 0.34
CSNK1A1 P48729 4/20 0.34
CSNK1D P48730 4/20 0.34
CSNK1E P49674 4/20 0.34

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
SCHEMBL14157267 0.72 NPC1 (0.47) CYP1A2KMT2AMAPK1
SCHEMBL29079328 0.69 NISCH (0.47) IDO1CSNK1A1MEN1KMT2AMAPK1
SCHEMBL6907831 0.65 NISCH (0.42) IDO1CSNK1A1CYP1A2MEN1KMT2A
SCHEMBL5491437 0.65
SCHEMBL1954237 0.65 MTOR (0.42) CDK2CYP1A2CCNE1MEN1KMT2A
SCHEMBL25219870 0.64
SCHEMBL755641 0.64 IMPDH2 (0.39) CDK5CDK5R1CCNT1CDK9GSK3B
SCHEMBL29754089 0.63 IMPDH2 (0.38) CDK5CDK5R1CCNT1CDK9GSK3B
SCHEMBL6199596 0.63 SMN1; SMN2 (0.41) GSK3BCSNK1A1CSNK1DCYP1A2MAPK9
SCHEMBL197279 0.62 NISCH (0.54) IDO1CSNK1A1CYP1A2MEN1KMT2A

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
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
WO-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 WO disclosed
EP-4039685-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-10 EP disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 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-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 CDK5 899/4885CDK5R1 1081/4885CDK2 605/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 CDK5 1421/4885CDK5R1 1799/4885CDK2 802/4885

“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.