SCHEMBL1703596

SCHEMBL1703596

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4cnc5sc(N)nc5c4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
ATM Q13315 2/20 0.59
HTT P42858 2/20 0.59
HCK P08631 4/20 0.58
NR2C2 P49116 2/20 0.58
ABL1 P00519 1/20 0.57
MAP3K7 O43318 6/20 0.56
MAP4K2 Q12851 6/20 0.56
MAPK14 Q16539 5/20 0.56
MAP3K20 Q9NYL2 2/20 0.56
EGFR P00533 1/20 0.56
BRAF P15056 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
RAD52 P43351 1/20 0.56
EPHA2 P29317 1/20 0.55
FES P07332 3/20 0.54
FER P16591 3/20 0.54
BTK Q06187 2/20 0.54
GCK P35557 1/20 0.54

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
SCHEMBL10158099 0.90 ABL1 (0.58) MAPK1ATMHTTHCKNR2C2
SCHEMBL1703715 0.86 DDR2 (0.54) HCKABL1MAPK14MAP3K20EGFR
SCHEMBL31620779 0.83 MAPK14 (0.62) MAPK1ATMHTTHCKNR2C2
SCHEMBL1696346 0.80 KIT (0.78) MAPK1ATMHTTHCKNR2C2
SCHEMBL13878758 0.80 HTT (0.74) MAPK1ATMHTTHCKABL1
SCHEMBL3389535 0.80 HTT (0.71) MAPK1ATMHTTHCKNR2C2
SCHEMBL31620857 0.79 BRAF (0.69) ABL1EGFRBRAF
SCHEMBL1705565 0.79 LCK (0.65) ABL1MAPK14BRAFMAPTBTK
SCHEMBL1280098 0.78 RET (0.81) HCKNR2C2ABL1MAP3K7MAP4K2
SCHEMBL2226481 0.78 HTT (0.68) MAPK1ATMHTTHCKNR2C2

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
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
WO-2010144909-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-16 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-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD MAPK1 4819/4885ATM 1765/4885HTT 354/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT MAPK1 4847/4885ATM 689/4885HTT 47/4885

“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.