SCHEMBL6873233

SCHEMBL6873233

CCn1cc(-c2cccc(OC)c2)c2c(OCc3ccccc3)cc(CO)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.46
EGFR P00533 3/20 0.46
ABL1 P00519 2/20 0.46
CDK1 P06493 2/20 0.46
ABL2 P42684 2/20 0.46
C5AR1 P21730 1/20 0.45
MAOB P27338 1/20 0.43
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 1/20 0.40
BAD Q92934 1/20 0.40
IGF1R P08069 2/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL7045275 0.87 C5AR1 (0.44) SRCEGFRABL1CDK1ABL2
SCHEMBL6870404 0.85 C5AR1 (0.44) SRCEGFRC5AR1MAOBMCL1
SCHEMBL6862803 0.85 ERN1 (0.43) SRCEGFRABL1CDK1ABL2
SCHEMBL6870347 0.81 DHFR (0.52)
SCHEMBL2873708 0.72 MAOB (0.62) C5AR1MAOBABCB1HTR1ADRD2
SCHEMBL6871916 0.71 DHFR (0.53) TSHRHSD17B10KMT2A
SCHEMBL6869438 0.70 DHFR (0.55) TSHRHSD17B10KMT2A
SCHEMBL2006949 0.69 MAOB (0.56) C5AR1MAOBABCB1HTR1ADRD2
SCHEMBL8728991 0.68 MAOB (0.52) C5AR1MAOBABCB1HTR1ADRD2
SCHEMBL12438699 0.67 IGF1R (0.75) SRCEGFRABL1CDK1ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280796-B1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2004-03-24 EP disclosed
US-6703397-B2 REACTING A NITRILE GROUP CONTAINING INDOLE DERIVEATIVE WITH GUANIDINE OR SALT; USEFUL AS PROHYLAXIS OR THERAPEUTICAL TREATMENT OF INFECTIOUS DISEASES BASILEA PHARMACEUTICA AG (CH) 2004-03-09 US disclosed
US-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-06-26 US disclosed
EP-1280796-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001083474-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2001-11-08 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-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity IDO1, IDO2, AANAT SRC 491/4885EGFR 562/4885ABL1 64/4885

“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.