SCHEMBL26980000

SCHEMBL26980000

C#CCn1c(=O)[nH]c(N)c(NC(=O)CCc2ccc(-c3ccccc3)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ HCAR2 Q8TDS4 5/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL24304732 0.88 ADORA3 (0.43) TSHRADORA3ATMSMN1; SMN2MAPT
SCHEMBL29499415 0.88 SMN1; SMN2 (0.36) TSHRADORA3ATMSMN1; SMN2MAPT
SCHEMBL24305416 0.88 TSHR (0.35) TSHRADORA3ADORA2AATMSMN1; SMN2
SCHEMBL24304750 0.85 PKM (0.44) TSHRSMN1; SMN2MAPTHDAC1POLB
SCHEMBL26980213 0.85 RAB9A (0.45) TSHRADORA3ATMSMN1; SMN2MAPT
SCHEMBL24305167 0.85 MCHR1 (0.41) MMP12MMP2MMP13POLBGAA
SCHEMBL29499444 0.82 ADORA3 (0.38) TSHRADORA3ATMSMN1; SMN2HDAC1
SCHEMBL24304730 0.82 ADORA2B (0.41) TSHRADORA3SMN1; SMN2MAPTHDAC1
SCHEMBL24304729 0.82 TNKS (0.38) ADORA3HDAC1GAA
SCHEMBL24305162 0.81 TNKS2 (0.38) TSHRADORA3ATMSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002416-A1 MRGPRX4 Agonists and Antagonists RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2024-01-04 — — US disclosed
EP-4229059-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2023-08-23 — — EP disclosed
WO-2022079245-A1 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2022-04-21 — — 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 (1 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-20240002416-A1 MRGPRX4 Agonists and Antagonists MRGPRX4, MRGPRX1, MRGPRX2 TSHR 630/4885HCAR2 201/4885ADORA3 150/4885

“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.

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