SCHEMBL18548474

SCHEMBL18548474

Nc1nc2[nH]nc(NC(=O)O)c2s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.41
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.31
LCK P06239 1/20 0.31
CSNK2A1 P68400 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18576414 0.78 GSK3A (0.43) ALDH1A1RAB9AMAPTGAAPOLB
SCHEMBL5577987 0.76 RAB9A (0.49) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL18548441 0.73 NPC1 (0.43) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL14454806 0.71 RPS6KA3 (0.44) RPS6KA3ALDH1A1MAPTGAAKMT2A
SCHEMBL4752792 0.70 RPS6KA3 (0.47) RPS6KA3MAPTGAAMAPK1HSD17B10
SCHEMBL5578045 0.67 RPS6KA3 (0.44) RPS6KA3MAPTGAAMAPK1HSD17B10
SCHEMBL14454801 0.67 RPS6KA3 (0.41) RPS6KA3
SCHEMBL14454844 0.65 NPC1 (0.54) ALDH1A1NPC1RAB9AMAPTPOLB
SCHEMBL3499091 0.63 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL3500620 0.63 RPS6KA3 (0.41) RPS6KA3ALDH1A1MAPTGAAMAPK1

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
US-10138225-B2 Amide compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-11-27 US disclosed
US-10092584-B2 Compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-09 US disclosed
WO-2017035360-A1 COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20170056428-A1 Compounds for the Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
WO-2017035349-A1 AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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 (4 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-10138225-B2 Amide compounds for treatment of medical disorders CFD, TFPI, CFH RPS6KA3 693/4885ALDH1A1 3120/4885NPC1 1072/4885
US-10092584-B2 Compounds for the treatment of medical disorders CFD, TFPI, CFH RPS6KA3 1509/4885ALDH1A1 3300/4885NPC1 243/4885
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders CFD, TFPI, CFH RPS6KA3 693/4885ALDH1A1 3120/4885NPC1 1072/4885
US-20170056428-A1 Compounds for the Treatment of Medical Disorders CFD, TFPI, CFH RPS6KA3 1509/4885ALDH1A1 3300/4885NPC1 243/4885

“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.