SCHEMBL4542537

SCHEMBL4542537

c1ccc(-n2cnc3cncnc32)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MKNK2 Q9HBH9 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FGFR1 P11362 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP17A1 P05093 2/20 0.40
LTA4H P09960 1/20 0.39
TSHR P16473 4/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
CLK4 Q9HAZ1 2/20 0.38
RPS6KA5 O75582 1/20 0.36

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
SCHEMBL20520353 0.80 MKNK2 (0.42) POLBMKNK2ALDH1A1FGFR1CYP1A2
SCHEMBL12759469 0.80 POLB (0.66) POLBALDH1A1HTTHSD17B10TDP1
SCHEMBL680855 0.78 FGFR1 (0.56) MKNK2ALDH1A1HTTHSD17B10FGFR1
Hydrochloric Acid SCHEMBL4456679 0.77 FGFR1 (0.54) MKNK2ALDH1A1HTTHSD17B10FGFR1
SCHEMBL16036625 0.75 POLB (0.70) POLBMKNK2ALDH1A1HTTHSD17B10
SCHEMBL3027720 0.75 PI4KA (0.57) MKNK2ALDH1A1HTTHSD17B10FGFR1
SCHEMBL30677290 0.74 CYP1A2 (0.46) MKNK2ALDH1A1HTTHSD17B10FGFR1
SCHEMBL6944930 0.73 PI4KA (0.55) POLBMKNK2ALDH1A1HSD17B10FGFR1
SCHEMBL28189820 0.73 MKNK2 (0.42) MKNK2ALDH1A1HSD17B10FGFR1CYP1A2
SCHEMBL27474268 0.73 MKNK2 (0.40) MKNK2ALDH1A1HSD17B10FGFR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 POLB 3790/4885MKNK2 3429/4885ALDH1A1 730/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 POLB 3790/4885MKNK2 3429/4885ALDH1A1 730/4885

“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.