SCHEMBL13993630

SCHEMBL13993630

O=C(Nc1ccc(N2CCOCC2)cc1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 7/20 0.53
▸ CCNY Q8ND76 7/20 0.53
▸ MAPT P10636 8/20 0.52
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ UBE2N P61088 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.48
▸ ABCB1 P08183 1/20 0.48
▸ LCK P06239 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL8262605 0.91 RAB9A (0.55) CDK14CCNYMAPTGAASMN1; SMN2
SCHEMBL13993628 0.89 LCK (0.61) CDK14CCNYMAPTGAASMN1; SMN2
SCHEMBL13993631 0.88 RAB9A (0.56) MAPTSMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL13993686 0.88 RAB9A (0.61) CDK14CCNYMAPTSMN1; SMN2NPC1
SCHEMBL8212885 0.80 TYK2 (0.68) CDK14CCNYHTT
SCHEMBL23271165 0.79 CDK14 (0.56) CDK14CCNY
SCHEMBL23271061 0.78 CDK14 (0.65) CDK14CCNY
SCHEMBL13993629 0.77 NPC1 (0.49) SMN1; SMN2NPC1RAB9ALCKMAPK14
SCHEMBL13993707 0.77 CDK5 (0.52) CDK14CCNYMAPK14
SCHEMBL8261472 0.77 CDK14 (0.58) CDK14CCNYGAAALDH1A1

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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 — — US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 — — 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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 CDK14 8/4885CCNY 51/4885MAPT 1859/4885

“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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