SCHEMBL21399252

SCHEMBL21399252

Cc1nc2nc(N3CCCCC3)[nH]c2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ ADORA1 P30542 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ PIM1 P11309 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.38
▸ TMIGD3 P0DMS9 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 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
SCHEMBL21388797 0.81 MEN1 (0.45) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL21380747 0.77 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL26155922 0.75 PNP (0.48) MEN1KMT2AHPGDADORA1KDM4E
SCHEMBL18984687 0.74 PNP (0.51) MEN1KMT2ACYP1A2CYP2C19HPGD
Hydrochloric Acid SCHEMBL8846302 0.73 PNP (0.50) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL6100817 0.71 MEN1 (0.47) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL10309248 0.71 MEN1 (0.65) MEN1KMT2AADORA1SMN1; SMN2MAPK1
SCHEMBL877790 0.69 MEN1 (0.45) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL9408132 0.68 MEN1 (0.51) MEN1KMT2ACYP1A2CYP2C19HPGD
SCHEMBL13217689 0.68 PIM1 (0.44) MEN1KMT2AADORA1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 MEN1 2793/4885KMT2A 2029/4885CYP1A2 4430/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 MEN1 2793/4885KMT2A 2029/4885CYP1A2 4430/4885

“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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