SCHEMBL6508624

SCHEMBL6508624

C#Cc1cc(Cl)cc2c3nn(C4CCCCO4)c(C)c3c(=O)n(CCCN3C(=O)c4ccccc4C3=O)c12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD1 P21728 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR4 Q13639 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
SCHEMBL6514840 0.89 KMT2A (0.36) KMT2ASMN1; SMN2DRD1MEN1MAPT
SCHEMBL6517970 0.87 CHEK1 (0.36)
SCHEMBL6515376 0.85 MAPT (0.41) KMT2ASMN1; SMN2DRD1MEN1MAPT
SCHEMBL6514337 0.83 PGK1 (0.37) DRD1CYP1A2CYP2C9CYP2C19
SCHEMBL6514298 0.72 RET (0.34)
SCHEMBL6509485 0.72 GAA (0.36) LMNA
SCHEMBL6511094 0.68 CHEK1 (0.41) KMT2ASMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6514165 0.68 CHEK1 (0.39) KMT2ASMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6522000 0.68 CHEK1 (0.41) KMT2AMAPTLMNAKDM4ECYP1A2
SCHEMBL6509056 0.67 ATR (0.34)

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
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005066157-A1 3-(PYROLIDIN-3-L) INDOLES AS 5-HT6 RECEPTOR MODULATORS SUVEN LIFE SCIENCES (IN) 2005-07-21 WO disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KMT2A 1919/4885SMN1; SMN2 3724/4885DRD1 4838/4885

“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.