SCHEMBL3756401

SCHEMBL3756401

COc1ccc(-c2ccccc2CN)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.62
ABL1 P00519 1/20 0.55
ABCB1 P08183 1/20 0.55
BCR P11274 1/20 0.55
HTR7 P34969 2/20 0.51
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
F10 P00742 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.46
BACE1 P56817 1/20 0.45
SYK P43405 1/20 0.44

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
Hydrochloric Acid SCHEMBL12490497 0.98 DPP4 (0.60) DPP4ABL1ABCB1BCRHTR7
SCHEMBL1520607 0.83 ABL1 (0.56) ABL1ABCB1BCRHTR7HDAC4
SCHEMBL13675365 0.83 ABL1 (0.56) ABL1ABCB1BCRHTR7HDAC4
SCHEMBL8529161 0.81 ABL1 (0.55) ABL1ABCB1BCRHTR7HDAC4
SCHEMBL28792762 0.81 ABL1 (0.55) ABL1ABCB1BCRHTR7HDAC4
SCHEMBL10821571 0.81 ABL1 (0.55) ABL1ABCB1BCRHTR7HDAC4
SCHEMBL8279410 0.81 MGAT2 (0.57) DPP4ABCB1HTR7MAPTTSHR
SCHEMBL4375331 0.80 PPARA (0.53) ABL1ABCB1BCRHTR7HDAC4
Hydrochloric Acid SCHEMBL12490805 0.80 MGAT2 (0.56) DPP4ABCB1HTR7MAPTMAOB
SCHEMBL12715050 0.80 ABL1 (0.79) ABL1ABCB1BCRHTR7HDAC4

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
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 WO disclosed
US-20120270875-A1 PYRIMIDINE AMIDE COMPOUNDS GILLESPIE PAUL (US) 2012-10-25 US disclosed
US-20120270875-A1 PYRIMIDINE AMIDE COMPOUNDS GILLESPIE PAUL (US) 2012-10-25 US disclosed
WO-2012123467-A1 PYRIMIDINE AMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-5278191-A Nervous system disorders G. D. SEARLE & CO. (US) 1994-01-11 US 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-20120270875-A1 PYRIMIDINE AMIDE COMPOUNDS UMPS, TYMS, DPYD DPP4 1530/4885ABL1 1106/4885ABCB1 1072/4885
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors PDE4B, PDE3B, PDE4A DPP4 37/4885ABL1 994/4885ABCB1 2115/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 DPP4 4206/4885ABL1 2396/4885ABCB1 236/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 DPP4 4521/4885ABL1 1004/4885ABCB1 313/4885

“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.