SCHEMBL9977773

SCHEMBL9977773

Cn1cnc(C(=O)NC2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMYD3 Q9H7B4 2/20 0.54
MLLT3 P42568 1/20 0.53
MLLT1 Q03111 1/20 0.53
ACKR3 P25106 1/20 0.52
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.49
KDM5A P29375 1/20 0.48

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
SCHEMBL20497268 0.85 SMYD3 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL20497236 0.85 KDM5A (0.52) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL20497287 0.84 MAPK1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL29448436 0.84 SMYD3 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL17518488 0.84 SMYD3 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL22883635 0.84 SMYD3 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL20497245 0.84 MAPK1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL17396123 0.80 SMYD3 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL20497293 0.80 SMYD3 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL17518582 0.79 BTK (0.50) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191489-B1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-06 EP disclosed
US-10597390-B2 Indoles for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2020-03-24 US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 US disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 WO disclosed
WO-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO 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-10597390-B2 Indoles for use in influenza virus infection IDO1, IDO2, INMT SMN1; SMN2 4828/4885NPC1 2751/4885RAB9A 2786/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT SMN1; SMN2 4828/4885NPC1 2751/4885RAB9A 2786/4885

“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.