SCHEMBL20181945

SCHEMBL20181945

CCC(C)n1ccc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
MTNR1A P48039 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
SLC22A12 Q96S37 5/20 0.37
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
SLC6A2 P23975 1/20 0.35
DAO P14920 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL20181931 0.87 SLC6A2 (0.43) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL598048 0.82 PARP1 (0.46) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL4235557 0.82 ADA (0.39) PARP1MTNR1AL3MBTL1CYP2C19SLC6A2
SCHEMBL23940231 0.80 SLC6A2 (0.42) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL8135638 0.79 PARP1 (0.47) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL8134942 0.79 PARP1 (0.44) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL23758074 0.78 HTR2A (0.44) CYP2C19HTR2AHTR2CHTR2B
SCHEMBL30991276 0.75 PARP1 (0.46) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL23938013 0.75 PARP1 (0.46) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL2127223 0.74 PARP1 (0.50) PARP1MTNR1AL3MBTL1CYP2C19RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541817-B1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
US-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 US disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 US disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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-10647675-B2 Biaryl derivative and medicine containing same MAN2B1, CBR3, MANBA PARP1 4532/4885MTNR1A 1230/4885L3MBTL1 1805/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA PARP1 4532/4885MTNR1A 1230/4885L3MBTL1 1805/4885

“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.