SCHEMBL26051626

SCHEMBL26051626

Cc1nnc(-c2cc(C)n(C)n2)o1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ BAZ2B Q9UIF8 1/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.32
▸ SYK P43405 3/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ ZAP70 P43403 1/20 0.30

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
SCHEMBL21597304 0.84 CA12 (0.35) CYP1A2CYP3A4SMN1; SMN2CA12CA1
SCHEMBL26206453 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4SMN1; SMN2APOBEC3G
SCHEMBL31596016 0.78 BAZ2B (0.32) ALDH1A1CYP1A2CYP3A4SMN1; SMN2BAZ2B
SCHEMBL26051625 0.73 KMT2A (0.44) ALDH1A1GPR84NOTUM
SCHEMBL21233179 0.73 TSHR (0.44) ALDH1A1SMN1; SMN2NOTUM
SCHEMBL26067069 0.70 SYK (0.44) TDP1CA12CA1CA2CA9
SCHEMBL31597293 0.70 HDAC6 (0.32) ALDH1A1CYP1A2CYP3A4SMN1; SMN2APOBEC3G
SCHEMBL21241221 0.69 BRD4 (0.36) ALDH1A1CYP1A2CYP3A4SMN1; SMN2APOBEC3G
SCHEMBL21233180 0.69 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4SMN1; SMN2APOBEC3G
SCHEMBL26847652 0.69 ACHE (0.40) ALDH1A1CYP1A2CYP3A4SMN1; SMN2APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 — — US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 — — US disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 — — 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 ALDH1A1 3565/4885CYP1A2 3074/4885CYP3A4 3830/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 ALDH1A1 865/4885CYP1A2 1772/4885CYP3A4 2682/4885

“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.

Send feedback