SCHEMBL9299371

SCHEMBL9299371

N#Cc1cnn2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.43
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLAT P00750 1/20 0.32
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
EPHB3 P54753 1/20 0.30

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
SCHEMBL17821034 0.72 PLAT (0.46) CDK2ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL10627204 0.69 CDK2 (0.40) CDK2ALDH1A1KDM4EPLATPKM
SCHEMBL11303602 0.63 CDK2 (0.53) CDK2ALDH1A1KDM4EEPHB3
SCHEMBL1693953 0.63 CDK2 (0.49) CDK2ALDH1A1KDM4ESMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL29516534 0.61 CDK2 (0.51) CDK2ALDH1A1KDM4EEPHB3
Bromide SCHEMBL29769300 0.61 CDK2 (0.51) CDK2ALDH1A1KDM4EEPHB3
SCHEMBL17577082 0.61 CDK2 (0.43) CDK2ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL9299039 0.61 CDK2 (0.43) CDK2ALDH1A1KDM4ESMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL29572128 0.61 CDK2 (0.47) CDK2ALDH1A1KDM4ESMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL29483244 0.61 CDK2 (0.51) CDK2ALDH1A1KDM4EEPHB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774800-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-11-13 EP disclosed
US-11702419-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-18 US disclosed
US-20210332053-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-28 US disclosed
CN-111936495-A Heterocyclic compounds and their use 武田药品工业株式会社 2020-11-13 CN disclosed
US-10807987-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-20 US disclosed
US-20190300536-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-03 US disclosed
US-5302712-A Intermediates for cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-12 US disclosed
US-5215982-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
EP-0427248-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-15 EP 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 (4 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-10807987-B2 Heterocyclic compound and use thereof GRIN2B, GRIN2A, GRIN2C CDK2 962/4885ALDH1A1 2709/4885KDM4E 1901/4885
US-20190300536-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN2B, GRIN2A, GRIN2C CDK2 962/4885ALDH1A1 2709/4885KDM4E 1901/4885
US-20210332053-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN2B, GRIN2A, GRIN2C CDK2 962/4885ALDH1A1 2709/4885KDM4E 1901/4885
US-11702419-B2 Heterocyclic compound and use thereof GRIN2B, GRIN2A, GRIN2C CDK2 962/4885ALDH1A1 2709/4885KDM4E 1901/4885

“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.