SCHEMBL24126980

SCHEMBL24126980

CC1Cc2c(C(C)C)ccnc2N1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL25789867 0.77 NNMT (0.45) NNMTHTR2AHTR2CHTR2B
SCHEMBL25425626 0.76 NNMT (0.47) NNMTHTR2AHTR2CHTR2B
SCHEMBL25425630 0.76 NNMT (0.47) NNMTHTR2AHTR2CHTR2B
SCHEMBL13485118 0.73 NNMT (0.39) NNMTHTR2A
SCHEMBL13507512 0.73 NNMT (0.42) NNMT
SCHEMBL21323893 0.70 HTR2A (0.43) NNMTHTR2AHTR2CHTR2B
SCHEMBL16019530 0.68 UHRF1 (0.41) HTR2AHTR2CHTR2B
SCHEMBL21104269 0.68 CCNB2 (0.36) HTR2AHTR2CHTR2B
SCHEMBL21100678 0.67 KDM4E (0.36) HTR2AHTR2CHTR2B
SCHEMBL10199838 0.67 HTR2A (0.37) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 — — 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 (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-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 NNMT 2138/4885HTR2A 4145/4885HTR2C 3677/4885

“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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