SCHEMBL16178796

SCHEMBL16178796

CC1CN(C(=O)NCc2cnc3sccn23)CCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.35
▸ HPGD P15428 6/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ TSHR P16473 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 5/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NTRK1 P04629 5/20 0.33
▸ HTT P42858 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL16178782 0.79 CYP3A4 (0.38) ALDH1A1TSHRMAPTNTRK1HRH4
SCHEMBL17964631 0.72 PI4KB (0.57) —
SCHEMBL17964628 0.72 PI4KB (0.57) —
SCHEMBL16178751 0.71 RAB9A (0.41) KDM4EALDH1A1NPC1RAB9AMAPK1
SCHEMBL14335796 0.70 CYP2D6 (0.49) KDM4EHPGDALDH1A1TSHRMAPT
SCHEMBL16178785 0.69 EPHX2 (0.62) HPGDALDH1A1TSHRPKMMAPT
SCHEMBL14941502 0.66 EPHX2 (0.47) KDM4EALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL16178752 0.66 MLNR (0.48) KDM4EALDH1A1
SCHEMBL16178769 0.64 NPC1 (0.57) KDM4EALDH1A1HSD17B10NPC1SMN1; SMN2
SCHEMBL22584714 0.63 ALOX15 (0.43) ALDH1A1TSHRNTRK1

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-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 — — US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 — — 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 KDM4E 1652/4885HPGD 615/4885ALDH1A1 708/4885

“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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