SCHEMBL20522903

SCHEMBL20522903

Oc1cc(O)c2c(c1Cl)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.55
ADRA2A P08913 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 1/20 0.38
ADCY4 Q8NFM4 1/20 0.38
DRD1 P21728 4/20 0.36
KDM4E B2RXH2 3/20 0.36
RECQL P46063 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
THPO P40225 2/20 0.36

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
Bromide SCHEMBL30255056 0.98 PNMT (0.53) PNMTADRA2AADRA2BADRA2CADCY6
SCHEMBL23683887 0.85 PNMT (0.52) PNMTADRA2AADRA2BADRA2CDRD1
SCHEMBL23684460 0.84 PNMT (0.50) PNMTADRA2AADRA2BADRA2CDRD1
SCHEMBL3095722 0.75 PNMT (0.71) PNMTADRA2AADRA2BADRA2CDRD1
Bromide SCHEMBL3091461 0.74 PNMT (0.68) PNMTADRA2AADRA2BADRA2CDRD1
Bromide SCHEMBL31018188 0.74 PNMT (0.68) PNMTADRA2AADRA2BADRA2CDRD1
SCHEMBL16518065 0.73 PNMT (0.53) PNMTADRA2AADRA2BADRA2CHTR2B
SCHEMBL22993478 0.72 HTR2A (0.50) PNMTADRA2AADRA2BADRA2CDRD1
SCHEMBL11725343 0.71 ADCY6 (0.43) PNMTADRA2AADRA2BADRA2CADCY6
SCHEMBL20522616 0.71 PNMT (0.52) PNMTADRA2AADRA2BADRA2CADCY6

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-3601258-B1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3601258-B1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
CN-110461829-B Substituted isoquinoline derivatives as immunomodulators 百时美施贵宝公司 2023-02-28 CN disclosed
US-11046675-B2 Substituted isoquionline derivatives as immunomudulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-29 US disclosed
US-11046675-B2 Substituted isoquionline derivatives as immunomudulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-29 US disclosed
US-20200181125-A1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-11 US disclosed
US-20200181125-A1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-11 US disclosed
EP-3601258-A1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS Bristol-Myers Squibb Company (US) 2020-02-05 EP disclosed
WO-2018183171-A1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-04 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-20200181125-A1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS CD74, HLA-DRB1, ICOS PNMT 118/4885ADRA2A 2606/4885ADRA2B 2695/4885
US-11046675-B2 Substituted isoquionline derivatives as immunomudulators CD74, HLA-DRB1, ICOS PNMT 118/4885ADRA2A 2606/4885ADRA2B 2695/4885

“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.