SCHEMBL4915023

SCHEMBL4915023

O=c1[nH]c2ccccc2n1Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
PKM P14618 1/20 0.59
MAPK10 P53779 1/20 0.59
GABRA5 P31644 3/20 0.54
GABRA1 P14867 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 1/20 0.54
ALOX5 P09917 1/20 0.53
GRIN1 Q05586 5/20 0.52
GRIN2B Q13224 5/20 0.52
SRC P12931 1/20 0.50
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL30345117 1.00 LMNA (0.62) LMNAHTTPKMMAPK10GABRA5
SCHEMBL6206854 0.87 LMNA (0.54) LMNAHTTPKMMAPK10MEN1
SCHEMBL4915141 0.85 LMNA (0.70) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL6980977 0.83 PKM (0.79) PKMMAPK10MEN1CYP1A2KMT2A
SCHEMBL2762074 0.82 LMNA (0.81) LMNAHTTMEN1CYP1A2KMT2A
SCHEMBL23119670 0.81 LMNA (0.57) LMNAHTTGABRA5GABRA1MEN1
SCHEMBL5242200 0.80 GRIN1 (0.48) PKMMAPK10GABRA5GABRA1MEN1
SCHEMBL30336835 0.78 ROCK2 (0.46) LMNAHTTCYP1A2KDM4EALDH1A1
SCHEMBL23997431 0.78 ROCK2 (0.46) LMNAHTTCYP1A2KDM4EALDH1A1
SCHEMBL4917013 0.77 LMNA (1.00) LMNAHTTMAPK10GABRA5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
US-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 US disclosed
EP-0005610-B1 1-(HETEROCYCLYLALKYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONES, THEIR PREPARATION, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS BETA-ADRENERGIC RECEPTOR BLOCKERS JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-15 EP disclosed
US-4181802-A ADRENERGIC BLOCKING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-01 US disclosed
EP-0005610-A2 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-28 EP 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 (5 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 LMNA 4017/4885HTT 4501/4885PKM 4163/4885
US-20080058376-A1 PIPERIDINES TRPV3, SCN3A, TRPV1 LMNA 2484/4885HTT 1281/4885PKM 1659/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH LMNA 3635/4885HTT 1142/4885PKM 3703/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH LMNA 3635/4885HTT 1142/4885PKM 3703/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 LMNA 4017/4885HTT 4501/4885PKM 4163/4885

“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.