SCHEMBL4065051

SCHEMBL4065051

CC(=O)c1cnc([S+](C)[O-])nc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 5/20 0.32
PTPN11 Q06124 2/20 0.32
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 5/20 0.31
NPC1 O15118 3/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 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
SCHEMBL27415510 0.74 HSP90AA1 (0.41) POLBSMN1; SMN2RAB9AKDM4E
SCHEMBL27583944 0.74
SCHEMBL28364819 0.73 POLB (0.39) POLBSMN1; SMN2PTPN11RAB9AALDH1A1
SCHEMBL17277740 0.73 POLB (0.46) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL30406742 0.73 POLB (0.46) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL31634847 0.72 NFKB1 (0.43) POLBSMN1; SMN2PTPN11L3MBTL1NFKB1
SCHEMBL14667045 0.72 NFKB1 (0.43) POLBSMN1; SMN2PTPN11L3MBTL1NFKB1
SCHEMBL27992091 0.72 DYRK1A (0.30)
SCHEMBL4347552 0.72 CDK4 (0.36) SMN1; SMN2RAB9AALDH1A1NPC1TP53
SCHEMBL4350221 0.71 CDK1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005778-B2 Method for preparing Palbociclib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-06-26 US disclosed
US-10005778-B2 Method for preparing Palbociclib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-06-26 US disclosed
US-20170247380-A1 METHOD FOR PREPARING PALBOCICLIB SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-08-31 US disclosed
US-20170247380-A1 METHOD FOR PREPARING PALBOCICLIB SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-08-31 US disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
EP-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP disclosed
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 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
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US disclosed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 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 (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-10005778-B2 Method for preparing Palbociclib CDK2, DCK, PARP1 POLB 76/4885SMN1; SMN2 3951/4885PTPN11 4679/4885
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 POLB 422/4885SMN1; SMN2 3957/4885PTPN11 206/4885
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 POLB 942/4885SMN1; SMN2 3490/4885PTPN11 1706/4885
US-20170247380-A1 METHOD FOR PREPARING PALBOCICLIB CDK2, DCK, PARP1 POLB 76/4885SMN1; SMN2 3951/4885PTPN11 4679/4885

“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.