SCHEMBL21827151

SCHEMBL21827151

Nc1cccc2cc(NC=O)ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHEK1 O14757 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PTBP1 P26599 1/20 0.38
RAB9A P51151 1/20 0.38
RCE1 Q9Y256 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL21827150 0.80 MAPT (0.46) MAPTCYP3A4LMNACYP1A2CYP2D6
SCHEMBL211712 0.78 CHEK1 (0.49) CYP1A2CHEK1ALDH1A1KDM4ENPC1
SCHEMBL28365500 0.73 PDPK1 (0.57) MAPTCYP3A4LMNACYP1A2CYP2D6
SCHEMBL30637884 0.73 CHEK1 (0.73) CHEK1
SCHEMBL1396886 0.73 CHEK1 (0.73) CHEK1
SCHEMBL28290671 0.72 NPC1 (0.42) MAPTCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL30600956 0.72 MAPK1 (0.50)
Hydrochloric Acid SCHEMBL14672376 0.71 MAPK1 (0.49)
SCHEMBL28290677 0.71 NPC1 (0.41) MAPTCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL11257598 0.70 CYP1A2 (0.53) MAPTCYP3A4LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 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-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 MAPT 4508/4885CYP3A4 3884/4885LMNA 3219/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 MAPT 4508/4885CYP3A4 3884/4885LMNA 3219/4885

“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.