SCHEMBL6654791

SCHEMBL6654791

CCc1cc(NC(=S)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 5/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6653887 0.90 PHGDH (0.52) PHGDHALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL8699306 0.89 MAPT (0.42) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL6651279 0.89 PHGDH (0.53) PHGDHMAPTKDM4EALDH1A1CYP3A4
SCHEMBL6653052 0.89 PHGDH (0.56) PHGDHMAPTALDH1A1KMT2ACYP3A4
SCHEMBL6651805 0.88 CYP3A4 (0.47) PHGDHMAPTKDM4EALDH1A1KMT2A
SCHEMBL6651274 0.87 MEN1 (0.54) MAPTALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL6671809 0.86 ALDH1A1 (0.36) PHGDHMAPTALDH1A1CYP3A4CYP2C19
SCHEMBL6651186 0.85 MAPT (0.53) PHGDHMAPTKDM4EALDH1A1KMT2A
SCHEMBL6652348 0.85 KMT2A (0.46) PHGDHMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL8701044 0.83 KMT2A (0.65) PHGDHMAPTKDM4EALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS PHGDH 2923/4885MAPT 4877/4885KDM4E 2023/4885

“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.