SCHEMBL21964573

SCHEMBL21964573

Nc1cc(Cl)nn1C[C@@H]1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
PDE8B O95263 7/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CA P42336 2/20 0.40
EPHX2 P34913 1/20 0.40
PIK3CD O00329 1/20 0.39

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
SCHEMBL21964574 1.00 TSHR (0.44) TSHRALDH1A1POLBPDE8BCASP1
SCHEMBL21960381 1.00 TSHR (0.44) TSHRALDH1A1POLBPDE8BCASP1
SCHEMBL21960368 0.82 PIK3CA (0.46) TSHRALDH1A1POLBPDE8BCASP1
SCHEMBL21961386 0.81 MAP3K14 (0.36) KDM4E
SCHEMBL21960898 0.81 MAP3K14 (0.36) KDM4E
SCHEMBL2817824 0.79 CNR2 (0.44) TSHRALDH1A1PDE8BCASP1CASP7
SCHEMBL283424 0.79 CNR2 (0.44) TSHRALDH1A1PDE8BCASP1CASP7
SCHEMBL283425 0.79 CNR2 (0.44) TSHRALDH1A1PDE8BCASP1CASP7
SCHEMBL21960874 0.78 PDE8B (0.49) PDE8BPIK3CAEPHX2
Hydrochloric Acid SCHEMBL2677549 0.78 CNR2 (0.44) TSHRALDH1A1PDE8BCASP1CASP7

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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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 (1 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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE TSHR 3857/4885ALDH1A1 3872/4885POLB 1088/4885

“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.