SCHEMBL17841129

SCHEMBL17841129

Cc1nnc(-c2cccc(-c3ccccc3N)c2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
ATAD2 Q6PL18 1/20 0.48
TSHR P16473 4/20 0.47
MECP2 P51608 1/20 0.47
S1PR1 P21453 1/20 0.47
TP53 P04637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CDK2 P24941 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL1206657 0.82 RAB9A (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9341650 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11964433 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3910760 0.79 MECP2 (0.69) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL15723910 0.78 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL15730621 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5162068 0.76 ALDH1A1 (0.71) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL12974 0.75 HPGD (0.73) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL13143834 0.74 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2306468 0.74 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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
EP-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 EP disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 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-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BRD4, BRDT, BET1 NPC1 2320/4885RAB9A 3018/4885SMN1; SMN2 4076/4885

“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.