SCHEMBL20489609

SCHEMBL20489609

CSc1nc(NC(=O)C2CCOCC2)c(C#N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
GLS O94925 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL21206750 0.80 RAB9A (0.42) RAB9AHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL21206709 0.78 RAB9A (0.41) RAB9AHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL21206659 0.78 RAB9A (0.41) RAB9AHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL9827129 0.76 DYRK1A (0.36) RAB9AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL20489644 0.72 TRPM8 (0.33) RAB9AMAPTNPC1TP53KMT2A
SCHEMBL20489428 0.72
SCHEMBL18337550 0.71 RAB9A (0.41) RAB9AHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL20489697 0.70 POLB (0.40) RAB9AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL21206522 0.69 RAB9A (0.46) RAB9AALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL20489625 0.68 GLS (0.40) RAB9AALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 EP 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 RAB9A 3109/4885HDAC1 6/4885HDAC2 11/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 RAB9A 3634/4885HDAC1 6/4885HDAC2 10/4885

“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.