SCHEMBL19522207

SCHEMBL19522207

CC(=O)CCCCn1cc(-c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.45
▸ HDAC6 Q9UBN7 18/20 0.45
▸ HDAC3 O15379 17/20 0.45
▸ HDAC2 Q92769 17/20 0.45
▸ HDAC4 P56524 16/20 0.45
▸ HDAC7 Q8WUI4 16/20 0.45
▸ HDAC10 Q969S8 16/20 0.45
▸ HDAC11 Q96DB2 16/20 0.45
▸ HDAC8 Q9BY41 16/20 0.45
▸ HDAC9 Q9UKV0 16/20 0.45
▸ HDAC5 Q9UQL6 16/20 0.45
▸ NAMPT P43490 2/20 0.41
▸ NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL19522202 0.99 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL19522208 0.99 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18357166 0.93 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18357098 0.92 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18357097 0.92 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL19522205 0.91 NAMPT (0.43) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18357006 0.90 NAMPT (0.42) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18357074 0.86 SNCA (0.40) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18357099 0.86 NAMPT (0.41) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18356839 0.86 EP300 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC4

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-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-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

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-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-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

“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