SCHEMBL16940832

SCHEMBL16940832

c1ccc2[nH]c(-c3c[nH]nc3-c3ccncc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.65
▸ KDM4E B2RXH2 10/20 0.65
▸ PKN1 Q16512 1/20 0.65
▸ PKN2 Q16513 1/20 0.65
▸ CHEK1 O14757 1/20 0.53
▸ NPC1 O15118 8/20 0.50
▸ RAB9A P51151 8/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ PKM P14618 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ LDHA P00338 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ GAA P10253 3/20 0.49
▸ HPGD P15428 6/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HTT P42858 2/20 0.48

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
SCHEMBL695990 0.80 KDM4E (1.00) ALDH1A1KDM4EPKN1PKN2CHEK1
SCHEMBL29693614 0.80 KDM4E (1.00) ALDH1A1KDM4EPKN1PKN2CHEK1
SCHEMBL687305 0.77 ALDH1A1 (0.63) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5451902 0.74 IMPDH2 (0.44) HSD17B10LMNAMAPK1MAPTCDK1
SCHEMBL14091529 0.73 PDE5A (0.56) METAP2
SCHEMBL2641186 0.73 GSK3B (0.66) ALDH1A1KDM4EPKN1PKN2CHEK1
SCHEMBL5256518 0.73 NOTUM (0.52) NPC1RAB9ASMN1; SMN2HSD17B10MAPK1
SCHEMBL13596393 0.73 NPC1 (0.56) ALDH1A1KDM4EPKN1PKN2NPC1
SCHEMBL1645967 0.73 SMN1; SMN2 (0.57) ALDH1A1KDM4EPKN1PKN2NPC1
SCHEMBL12659577 0.73 NPC1 (0.57) ALDH1A1KDM4EPKN1PKN2NPC1

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
US-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 — — US disclosed
US-9789111-B2 Casein kinase 1δ (CK 1δ) inhibitors ELECTROPHORETICS LIMITED (GB) 2017-10-17 — — US disclosed
US-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED (GB) 2015-07-30 — — US disclosed
US-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS ELECTROPHORETICS LIMITED (GB) 2015-07-30 — — 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-20150209368-A1 CASEIN KINASE 1DELTA (CK 1DELTA) INHIBITORS CSNK1A1, CSNK1G1, CSNK1D ALDH1A1 2054/4885KDM4E 1332/4885PKN1 57/4885

“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.

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