SCHEMBL22105567

SCHEMBL22105567

CCN1c2ncn(Cc3ccccc3)c2C(=O)NC1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GDA Q9Y2T3 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ TNF P01375 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ PARN O95453 1/20 0.39
▸ CNOT7 Q9UIV1 1/20 0.39
▸ ADORA2B P29275 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL22105439 0.82 ALDH1A1 (0.42) TSHRALDH1A1GDAGAAPKM
SCHEMBL21499645 0.74 GDA (0.46) TSHRALDH1A1GDAGAAPKM
SCHEMBL22105455 0.73 KMT2A (0.33) TSHRALDH1A1GAABRD4SMN1; SMN2
SCHEMBL23974592 0.70 TSHR (0.57) TSHRALDH1A1GDAGAAPKM
SCHEMBL22734477 0.69 TP53 (0.36) ALDH1A1
SCHEMBL22734659 0.69 KMT2A (0.37) ALDH1A1PKMBRD4SMN1; SMN2
SCHEMBL16298422 0.67 TSHR (0.50) TSHRALDH1A1GAAPKMCYP11B2
SCHEMBL22105374 0.65 GDA (0.40) GDAADORA2BTDP1
SCHEMBL27686786 0.64 CYP11B2 (0.43) TSHRALDH1A1GDAGAAPKM
SCHEMBL16068380 0.64 CYP11B2 (0.54) TSHRALDH1A1GDAGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-14 — — US disclosed
US-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — 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 (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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 TSHR 1665/4885ALDH1A1 869/4885GDA 2668/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 TSHR 1011/4885ALDH1A1 1568/4885GDA 2588/4885

“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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