SCHEMBL21499649

SCHEMBL21499649

CN1C(=O)c2c(ncn2Cc2ccc(Cl)cc2)NC1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ACP1 P24666 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 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
SCHEMBL24079417 0.74 GDA (0.30) —
SCHEMBL19375427 0.74 MAPK1 (0.41) MAPK1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL21499645 0.67 GDA (0.46) LMNASMN1; SMN2CYP11B1CYP11B2ACP1
SCHEMBL23974592 0.66 TSHR (0.57) LMNASMN1; SMN2CYP11B1CYP11B2TSHR
SCHEMBL21499647 0.64 HSD17B10 (0.37) LMNASMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL30071806 0.63 BRD4 (0.49) MAPK1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL16423250 0.62 KMT2A (0.49) MAPK1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL16422771 0.61 KMT2A (0.51) MAPK1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL16076166 0.61 LMNA (0.61) MAPK1LMNASMN1; SMN2HTTBRD4
SCHEMBL22105567 0.60 TSHR (0.45) SMN1; SMN2CYP11B1CYP11B2BRD4TSHR

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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 — — 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 (3 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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAPK1 3995/4885LMNA 704/4885SMN1; SMN2 1307/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 MAPK1 3995/4885LMNA 704/4885SMN1; SMN2 1307/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAPK1 3995/4885LMNA 704/4885SMN1; SMN2 1307/4885

“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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