SCHEMBL21741003

SCHEMBL21741003

O=C(NCCNc1ncccn1)c1cnc(-c2ccccn2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HDAC3 O15379 5/20 0.42
HDAC4 P56524 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8284425 0.80 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6508481 0.79 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19002237 0.78 KDM4E (0.68) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8288041 0.74 KMT2A (0.67) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2160017 0.74 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2161303 0.73 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6609203 0.73 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1313344 0.73 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30664409 0.73 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29670209 0.70 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 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 (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-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ALDH1A1 3448/4885MAPT 4169/4885SMN1; SMN2 3555/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885MAPT 4169/4885SMN1; SMN2 3555/4885

“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.