SCHEMBL4065083

SCHEMBL4065083

Cc1nc(Nc2ccccn2)nc(N)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK10 P53779 2/20 0.40
GRM5 P41594 2/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GFER P55789 1/20 0.39
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39

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
SCHEMBL4065020 0.76 CCND3 (0.43) MEN1KMT2AMAPK10GRM5GFER
SCHEMBL29167057 0.71 KMT2A (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12974748 0.71 CCNA2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10697527 0.68 PDE4B (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28709720 0.68 KDR (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29466321 0.68 KDR (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL30923288 0.68 JAK3 (0.49) ALDH1A1SMN1; SMN2RAB9AGAAMAPK10
SCHEMBL4065994 0.67 CCNA2 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3951276 0.66 MEN1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29544002 0.66 MEN1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP claimed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP claimed
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 claimed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
WO-2009014642-A1 COMBINATION OF A DE NOVO PURINE BIOSYNTHESIS INHIBITOR AND A CYCLIN DEPENDENT KINASE INHIBITOR FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2009-01-29 WO disclosed
US-20090030005-A1 Combinations for the treatment of cancer AMGEN INC. (US) 2009-01-29 US disclosed
EP-1740184-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
WO-2005094830-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US 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 (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-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 ALDH1A1 577/4885MEN1 3353/4885KMT2A 669/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 ALDH1A1 1634/4885MEN1 4009/4885KMT2A 371/4885

“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.