SCHEMBL18153560

SCHEMBL18153560

COc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)c3c(nc2c1F)NC(=O)NC3

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.41
MAP4K1 Q92918 3/20 0.38
MAPK14 Q16539 3/20 0.35
KCNH2 Q12809 1/20 0.35
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
HTR6 P50406 2/20 0.34
BCL6 P41182 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KDM1A O60341 1/20 0.32
WEE1 P30291 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL18153439 0.89 KRAS (0.37) NTRK1MAP4K1MAPK14CCNT1CDK9
SCHEMBL18153431 0.87 KRAS (0.47)
SCHEMBL18164139 0.86 CXCR2 (0.37) MAP4K1CCNT1CDK9ALK
SCHEMBL20010853 0.77 KRAS (0.49)
SCHEMBL20010857 0.77 CXCR2 (0.38) CDK9
SCHEMBL18153459 0.76 KRAS (0.59)
SCHEMBL18128443 0.74 NTRK1 (0.40) NTRK1MAP4K1HTR7HTR1AHTR6
Hydrochloric Acid SCHEMBL16637286 0.74 NTRK1 (0.45) NTRK1MAP4K1ALK
SCHEMBL18134815 0.74 KRAS (0.42) NTRK1MAP4K1HTR7HTR1AALK
SCHEMBL16636995 0.73 KRAS (0.53) NTRK1MAP4K1HTR7HTR1A

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
EP-3283462-B1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2020-12-02 EP disclosed
EP-3283462-B1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2020-12-02 EP disclosed
US-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-10-01 US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 US disclosed
EP-3283462-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF Araxes Pharma LLC (US) 2018-02-21 EP disclosed
WO-2016168540-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-20 WO disclosed
WO-2016168540-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-20 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-10428064-B2 Fused-tricyclic inhibitors of KRAS and methods of use thereof KRAS, NRAS, HRAS NTRK1 1697/4885MAP4K1 605/4885MAPK14 1148/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NTRK1 1697/4885MAP4K1 605/4885MAPK14 1148/4885

“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.