SCHEMBL4069752

SCHEMBL4069752

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=N)N)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 3/20 0.58
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ F13A1 P00488 1/20 0.52
▸ TGM2 P21980 1/20 0.52
▸ TGM1 P22735 1/20 0.52
▸ GPR119 Q8TDV5 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NAMPT P43490 1/20 0.49
▸ PTPN11 Q06124 1/20 0.47
▸ SYK P43405 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CKS1B P61024 1/20 0.45
▸ SKP1 P63208 1/20 0.45
▸ SKP2 Q13309 1/20 0.45
▸ ESR2 Q92731 1/20 0.45

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
SCHEMBL24483274 0.89 WNT3A (0.57) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28907538 0.88 WNT3A (0.63) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29020664 0.86 WNT3A (0.58) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30385839 0.86 WNT3A (0.58) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6741353 0.86 WNT3A (0.57) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23047380 0.86 WNT3A (0.57) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17675597 0.85 WNT3A (0.62) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22812969 0.84 WNT3A (0.55) WNT3AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18453164 0.83 WNT3A (0.53) WNT3AMAPTMEN1KMT2A
SCHEMBL4065096 0.83 WNT3A (0.55) WNT3AMAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016023-B Simple preparation method of palbociclib 新发药业有限公司 2020-05-08 — — CN claimed
CN-109928975-B Industrial preparation method of Riboxini 新发药业有限公司 2020-04-28 — — CN claimed
CN-110016023-B Simple preparation method of palbociclib 新发药业有限公司 2020-05-08 — — CN disclosed
CN-109928975-B Industrial preparation method of Riboxini 新发药业有限公司 2020-04-28 — — CN disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 — — EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 — — EP disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 — — US disclosed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 — — 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 (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-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI WNT3A 1049/4885MAPT 4640/4885SMN1; SMN2 3490/4885

“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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