SCHEMBL1796396

SCHEMBL1796396

C[Si](C)(C)C#Cc1c[nH]c2ncncc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.40
RPS6KA5 O75582 1/20 0.38
LATS1 O95835 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CDC7 O00311 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
DBF4 Q9UBU7 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
SCHEMBL28096201 0.76 PDK2 (0.38) AAK1
SCHEMBL1799199 0.76 RPS6KA5 (0.42) AAK1RPS6KA5LATS1LRRK2CDC7
SCHEMBL5260963 0.76 LRRK2 (0.54) AAK1RPS6KA5LRRK2CCNT1CDK9
SCHEMBL30199352 0.76 LRRK2 (0.54) AAK1RPS6KA5LRRK2CCNT1CDK9
SCHEMBL5815182 0.75 AAK1 (0.57) AAK1RPS6KA5LRRK2
SCHEMBL25304749 0.75 AURKA (0.46) AAK1LRRK2CDK2CDK9
Hydrochloric Acid SCHEMBL28274256 0.75 LRRK2 (0.53) AAK1RPS6KA5LRRK2CCNT1CDK9
SCHEMBL5527750 0.71 RET (0.38) LRRK2
SCHEMBL5317623 0.70 DGAT1 (0.34)
SCHEMBL29799259 0.70 DGAT1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 EP disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
EP-1682564-A1 METHODS FOR PREPARING 7-(2 -SUBSTITUTED-s-D-RIBOFURANO SYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO 2,3-D|PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2006-07-26 EP disclosed
WO-2005044835-A1 METHODS FOR PREPARING 7-(2'-SUBSTITUTED-ß-D-RIBOFURANOSYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2005-05-19 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 (8 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 AAK1 371/4885RPS6KA5 373/4885LATS1 1907/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 AAK1 371/4885RPS6KA5 373/4885LATS1 1907/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 AAK1 654/4885RPS6KA5 754/4885LATS1 3644/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 AAK1 4640/4885RPS6KA5 611/4885LATS1 4124/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 AAK1 371/4885RPS6KA5 373/4885LATS1 1907/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 AAK1 654/4885RPS6KA5 754/4885LATS1 3644/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 AAK1 4640/4885RPS6KA5 611/4885LATS1 4124/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 AAK1 654/4885RPS6KA5 754/4885LATS1 3644/4885

“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.