SCHEMBL22493829

SCHEMBL22493829

O=[N+]([O-])c1cccc(Nc2ncc3scc(-c4ccccc4)c3n2)c1.O=[N+]([O-])c1cccc(Nc2ncc3scc(I)c3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 13/20 0.56
ABL1 P00519 3/20 0.48
BCR P11274 3/20 0.48
PRKCA P17252 3/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CSNK2A1 P68400 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL1674037 0.94 PTK2 (0.61) PTK2ABL1BCRPRKCAEGFR
SCHEMBL1674027 0.91 CDK2 (0.53) PTK2ABL1BCRPRKCAEGFR
SCHEMBL29523223 0.91 CDK2 (0.53) PTK2ABL1BCRPRKCAEGFR
SCHEMBL18250794 0.81 PTK2 (0.44) PTK2ABL1BCRPRKCAEGFR
SCHEMBL14853272 0.77 PTK2 (0.67) PTK2SRCCSNK2A1
SCHEMBL29523174 0.73 SYK (0.52) PTK2ABL1BCREGFRSRC
SCHEMBL1674326 0.73 SYK (0.52) PTK2ABL1BCREGFRSRC
SCHEMBL1674153 0.73 SYK (0.54) PTK2ABL1EGFRSRCCCNA2
SCHEMBL29523179 0.73 SYK (0.54) PTK2ABL1EGFRSRCCCNA2
SCHEMBL1682799 0.73 PTK2 (0.67) PTK2SRCCSNK2A1

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-11052090-B2 Use of TREM-1 inhibitors for treatment, elimination and eradication of HIV-1 infection EMORY UNIVERSITY (US) 2021-07-06 US disclosed
US-20200316073-A1 USE OF TREM-1 INHIBITORS FOR TREATMENT, ELIMINATION AND ERADICATION OF HIV-1 INFECTION UNIV EMORY (US) 2020-10-08 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-20200316073-A1 USE OF TREM-1 INHIBITORS FOR TREATMENT, ELIMINATION AND ERADICATION OF HIV-1 INFECTION MERTK, PNP, HAVCR2 PTK2 418/4885ABL1 60/4885BCR 2946/4885
US-11052090-B2 Use of TREM-1 inhibitors for treatment, elimination and eradication of HIV-1 infection MERTK, PNP, HAVCR2 PTK2 418/4885ABL1 60/4885BCR 2946/4885

“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.