SCHEMBL31731985

SCHEMBL31731985

c1ccn2cc(-c3cn4ccccc4n3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.67
NPC1 O15118 14/20 0.67
KDM4E B2RXH2 10/20 0.67
POLB P06746 2/20 0.67
SMN1; SMN2 Q16637 7/20 0.65
GFER P55789 2/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
ALOX12 P18054 1/20 0.65
PKM P14618 7/20 0.61
EPHX2 P34913 1/20 0.61
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
MIF P14174 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 8/20 0.57
MAPT P10636 4/20 0.57
HPGD P15428 2/20 0.57
HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL13325909 0.89 RAB9A (0.83) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL13325938 0.87 RAB9A (0.80) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL13131131 0.87 RAB9A (0.69) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL31154574 0.87 RAB9A (0.74) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL966793 0.87 RAB9A (0.74) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL29080554 0.87 RAB9A (0.74) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL30944801 0.87 RAB9A (0.54) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL10515978 0.87 RAB9A (0.54) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL25343703 0.86 RAB9A (0.72) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL13325735 0.84 RAB9A (0.75) RAB9ANPC1KDM4EPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HUFF SARAH ELIZABETH (US) 2025-11-20 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 (1 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-20250353841-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 RAB9A 1104/4885NPC1 329/4885KDM4E 2060/4885

“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.