SCHEMBL4969183

SCHEMBL4969183

Cc1cccc(-c2nc(C(C)(C)C)[nH]c2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.84
MAPK14 Q16539 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
RIPK2 O43353 1/20 0.84
ACVR1B P36896 1/20 0.84
MTOR P42345 1/20 0.52
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL373422 0.91 TGFBR1 (1.00) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL29358831 0.91 TGFBR1 (1.00) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL29378125 0.91 TGFBR1 (1.00) TGFBR1MAPK14TDP1RIPK2ACVR1B
Hydrochloric Acid SCHEMBL140197 0.90 TGFBR1 (1.00) TGFBR1MAPK14TDP1RIPK2ACVR1B
Hydrochloric Acid SCHEMBL29541686 0.90 TGFBR1 (1.00) TGFBR1MAPK14TDP1RIPK2ACVR1B
Water SCHEMBL21459280 0.90 TGFBR1 (0.98) TGFBR1MAPK14TDP1RIPK2ACVR1B
Hydrochloric Acid SCHEMBL14778775 0.89 TGFBR1 (0.98) TGFBR1MAPK14TDP1RIPK2ACVR1B
Hydrochloric Acid SCHEMBL29361019 0.89 TGFBR1 (0.98) TGFBR1MAPK14TDP1RIPK2ACVR1B
Hypochlorous Acid SCHEMBL26968133 0.87 TGFBR1 (0.92) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL12187432 0.85 TGFBR1 (0.61) TGFBR1MAPK14TDP1RIPK2ACVR1B

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-11759530-B2 TKI permeability enhancers CITY OF HOPE (US) 2023-09-19 US disclosed
EP-3039122-B1 GENERATION OF ENDOCRINE PROGENITOR CELLS FROM HUMAN PLURIPOTENT STEM CELLS USING SMALL MOLECULES NOVO NORDISK AS (DK) 2019-07-17 EP disclosed
US-20190083650-A1 TKI PERMEABILITY ENHANCERS CITY OF HOPE 2019-03-21 US disclosed
US-20160208215-A1 Generation of Endocrine Progenitor Cells from Human Pluripotent Stem Cells Using Small Molecules TAKARA BIO EUROPE AB (SE) 2016-07-21 US disclosed
WO-2016081503-A1 TKI PERMEABILITY ENHANCERS CITY OF HOPE (US) 2016-05-26 WO disclosed
US-20130071931-A1 PROCESS FOR HEPATIC DIFFERENTIATION FROM INDUCED HEPATIC STEM CELLS, AND INDUCED HEPATIC PROGENITOR CELLS DIFFERENTIATED THEREBY NATIONAL CANCER CENTER (JP) 2013-03-21 US disclosed
US-20130064799-A1 METHODS FOR PROMOTING CELL REPROGRAMMING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-03-14 US disclosed
US-20120122212-A1 TGF-BETA PATHWAY INHIBITORS FOR ENHANCEMENT OF CELLULAR REPROGRAMMING OF HUMAN CELLS IPIERIAN, INC. 2012-05-17 US disclosed
US-20110281281-A1 INTEGRATION-FREE HUMAN INDUCED PLURIPOTENT STEM CELLS FROM BLOOD IPIERIAN, INC. (US) 2011-11-17 US disclosed
US-8048675-B1 Integration-free human induced pluripotent stem cells from blood IPIERIAN, INC. (US) 2011-11-01 US disclosed
WO-2010102267-A2 TGF-BETA PATHWAY INHIBITORS FOR ENHANCEMENT OF CELLULAR REPROGRAMMING OF HUMAN CELLS IPIERIAN, INC. (US) 2010-09-10 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 (3 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-11759530-B2 TKI permeability enhancers ABL1, TK1, EGFR TGFBR1 2423/4885MAPK14 706/4885TDP1 512/4885
US-20190083650-A1 TKI PERMEABILITY ENHANCERS ABL1, TK1, EGFR TGFBR1 2423/4885MAPK14 706/4885TDP1 512/4885
US-20130064799-A1 METHODS FOR PROMOTING CELL REPROGRAMMING HIPK2, HIPK3, HIPK1 TGFBR1 2288/4885MAPK14 528/4885TDP1 2354/4885

“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.