SCHEMBL1129210

SCHEMBL1129210

CCC(O)(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SIGMAR1 Q99720 1/20 0.42
KIF11 P52732 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
BCL2 P10415 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7609359 0.92 CYP2A6 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL936317 0.89 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ASIGMAR1CHRM2
SCHEMBL246639 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ASIGMAR1CHRM2
SCHEMBL28539349 0.85 CHRM2 (0.50) SMN1; SMN2MEN1KMT2ASIGMAR1CHRM2
SCHEMBL27481584 0.84 KIF11 (0.41) SMN1; SMN2MEN1KMT2AKIF11CHRM3
SCHEMBL8476290 0.84 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL10784956 0.84 ALOX15 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL9906148 0.83 KIF11 (0.44) SMN1; SMN2MEN1KMT2ASIGMAR1KIF11
SCHEMBL11764401 0.82 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ASIGMAR1KIF11
SCHEMBL11623208 0.82 CYP2C9 (0.48) SMN1; SMN2MEN1KMT2ASIGMAR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-4094908-A Alpha-substituted benzhydrol derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1978-06-13 US disclosed
US-4039589-A LIVER MICROSOMAL ENZYMES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-08-02 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 SMN1; SMN2 267/4885MEN1 374/4885KMT2A 1103/4885

“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.