SCHEMBL18806100

SCHEMBL18806100

CC(C)(C)c1cnc(C(C)(C)C)c2sccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ LMNA P02545 1/20 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
SCHEMBL18819893 0.78 DYRK1A (0.33) DYRK1AKDM4EADORA2AADORA1
SCHEMBL25146224 0.72 CA2 (0.34) ADORA2AADORA1
SCHEMBL25038132 0.69 ALDH1A1 (0.35) KDM4EALDH1A1HPGDTDP1
SCHEMBL14090799 0.69 ADORA2A (0.30) ADORA2AADORA1
SCHEMBL14090800 0.69 ADORA2A (0.30) ADORA2AADORA1
SCHEMBL14090690 0.68 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL8738083 0.68 AXL (0.32) —
SCHEMBL22792920 0.68 CHEK1 (0.38) DYRK1AKDM4EALDH1A1MAPTHPGD
SCHEMBL22792924 0.68 ADORA2A (0.39) KDM4EADORA2AADORA1ALDH1A1MAPT
SCHEMBL22792393 0.68 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDPPARG

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-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 — — US disclosed
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 — — 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-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK7 DYRK1A 502/4885KDM4E 188/4885ADORA2A 2170/4885

“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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