SCHEMBL21138183

SCHEMBL21138183

Clc1ncnc2c1nnn2C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
AURKA O14965 1/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL21138218 0.82 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBGSK3A
SCHEMBL21138186 0.78 TP53 (0.31)
SCHEMBL4750863 0.75 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBMAPK1
SCHEMBL21138498 0.72 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24687442 0.67 ADORA2A (0.36) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL25344064 0.67 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBSMN1; SMN2
SCHEMBL4751440 0.66 CYP11B1 (0.47) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4928331 0.65 TP53 (0.49) PI4KAPI4K2BPI4K2API4KB
SCHEMBL21138790 0.65 ADORA2A (0.39) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4752076 0.64 FDPS (0.43) PI4KAPI4K2BPI4K2API4KBMAPK1

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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 (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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A PI4KA 1612/4885PI4K2B 1818/4885PI4K2A 2044/4885

“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.