SCHEMBL17518488

SCHEMBL17518488

Cn1cnc(C(=O)N[C@@H]2CCC[C@H](N)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.51
PBK Q96KB5 1/20 0.46
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM5A P29375 1/20 0.43
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42
ACKR3 P25106 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
SCHEMBL29448436 1.00 SMYD3 (0.51) SMYD3PBKGRM5ALDH1A1NPC1
SCHEMBL22883635 1.00 SMYD3 (0.51) SMYD3PBKGRM5ALDH1A1NPC1
SCHEMBL9977773 0.84 SMN1; SMN2 (0.57) SMYD3ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL28479800 0.82 SMYD3 (0.42) SMYD3GRM5ALDH1A1NPC1CYP1A2
SCHEMBL17518582 0.80 BTK (0.50) SMYD3GRM5ALDH1A1NPC1CYP1A2
SCHEMBL20497236 0.78 KDM5A (0.52) SMYD3PBKALDH1A1NPC1CYP1A2
SCHEMBL20497287 0.77 MAPK1 (0.48) SMYD3PBKALDH1A1NPC1CYP1A2
SCHEMBL20497245 0.77 MAPK1 (0.48) SMYD3PBKALDH1A1NPC1CYP1A2
SCHEMBL20497268 0.76 SMYD3 (0.52) SMYD3ALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL31612738 0.75 SMYD3 (0.44) SMYD3PBKALDH1A1SMN1; SMN2KDM5A

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 9 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-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 US disclosed
US-9932346-B2 Pyrrolopyrimidines for use in influenza virus infection JANSSEN SCIENCES IRELAND UC (IE) 2018-04-03 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 US disclosed
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-07 US disclosed
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-08-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SMYD3 1871/4885PBK 1357/4885GRM5 1722/4885
US-20170226102-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION IDO1, IDO2, INMT SMYD3 1871/4885PBK 1357/4885GRM5 1722/4885
US-20170253600-A1 PYRROLOPYRIMIDINES FOR USE IN INFLUENZA VIRUS INFECTION IMPDH1, IMPDH2, TYMP SMYD3 3750/4885PBK 1658/4885GRM5 2172/4885

“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.