SCHEMBL2011172

SCHEMBL2011172

COc1ccc2ncc3c(c2c1)C=C(C#N)CO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.44
HPGDS O60760 1/20 0.40
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
NQO1 P15559 1/20 0.37
KCNH2 Q12809 2/20 0.37
SLC2A1 P11166 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PDE5A O76074 1/20 0.35
NMT1 P30419 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5226489 0.80 PTGS1 (0.41) HPGDSKDM4ENQO1ALDH1A1MAPT
SCHEMBL2014811 0.78 LMNA (0.47) KDM4EALDH1A1MAPTHTTCLK1
SCHEMBL430257 0.72 ALOX5 (0.51) KDM4ENQO1ALDH1A1MAPTHTT
SCHEMBL545307 0.72 MTNR1A (0.49) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL2013241 0.69 GABRA1 (0.41) KDM4EPDE5AALDH1A1MAPTHTT
SCHEMBL24009012 0.67 MAP2K1 (0.56) SRCHPGDSRAF1MAP2K1EGFR
SCHEMBL3272022 0.66 MAP2K1 (0.55) SRCHPGDSRAF1MAP2K1EGFR
SCHEMBL3272746 0.66 SRC (0.60) SRCHPGDSRAF1MAP2K1EGFR
SCHEMBL3273442 0.66 MAP2K1 (0.55) SRCHPGDSRAF1MAP2K1EGFR
SCHEMBL28264974 0.66 MAP2K1 (0.55) SRCHPGDSRAF1MAP2K1EGFR

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-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US disclosed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US disclosed
US-8927541-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
EP-2513115-B1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2013-10-09 EP disclosed
EP-2513115-A1 TRICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2012-10-24 EP disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 US disclosed
WO-2011073378-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-06-23 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 (2 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S SRC 2502/4885HPGDS 3222/4885RAF1 3344/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 SRC 4294/4885HPGDS 2710/4885RAF1 4239/4885

“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.