SCHEMBL18357097

SCHEMBL18357097

Cc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cn(CCCCCCC(=O)O)nn4)cc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.46
▸ HDAC6 Q9UBN7 17/20 0.46
▸ HDAC3 O15379 15/20 0.46
▸ HDAC4 P56524 15/20 0.46
▸ HDAC7 Q8WUI4 15/20 0.46
▸ HDAC2 Q92769 15/20 0.46
▸ HDAC10 Q969S8 15/20 0.46
▸ HDAC11 Q96DB2 15/20 0.46
▸ HDAC8 Q9BY41 15/20 0.46
▸ HDAC9 Q9UKV0 15/20 0.46
▸ HDAC5 Q9UQL6 15/20 0.46
▸ EP300 Q09472 3/20 0.46

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
SCHEMBL18357098 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL18357166 0.99 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19522208 0.93 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19522202 0.93 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19522207 0.92 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL19522205 0.90 NAMPT (0.43) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL18357006 0.89 NAMPT (0.42) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL18356839 0.86 EP300 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL18357100 0.86 EP300 (0.41) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL18357074 0.85 SNCA (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-10-15 — — US disclosed
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2019-05-23 — — US disclosed
US-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-03-12 — — US disclosed
US-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2018-08-07 — — US disclosed
US-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2018-08-07 — — US disclosed
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2018-02-08 — — US disclosed
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2018-02-08 — — US disclosed
US-9802942-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2017-10-31 — — US disclosed
US-9802942-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2017-10-31 — — US disclosed
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 — — US disclosed
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 — — 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 (6 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-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HDAC1 683/4885HDAC6 663/4885HDAC3 1821/4885
US-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HDAC1 683/4885HDAC6 663/4885HDAC3 1821/4885
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 HDAC1 683/4885HDAC6 663/4885HDAC3 1821/4885
US-20170002013-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 HDAC1 683/4885HDAC6 663/4885HDAC3 1821/4885
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 HDAC1 683/4885HDAC6 663/4885HDAC3 1821/4885
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HDAC1 683/4885HDAC6 663/4885HDAC3 1821/4885

“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