SCHEMBL18153433

SCHEMBL18153433

N#Cc1c(N)nc2c(F)c(Br)c(Cl)cc2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ KHK P50053 1/20 0.35
▸ ADORA2A P29274 7/20 0.34
▸ ADORA1 P30542 5/20 0.34
▸ KDM4E B2RXH2 8/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NR2E3 Q9Y5X4 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CLK4 Q9HAZ1 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
SCHEMBL18153428 0.86 MAPK14 (0.36) MAPK14KHKADORA2AADORA1KDM4E
SCHEMBL29654262 0.86 ALDH1A1 (0.31) KHKALDH1A1HPGDKMT2A
SCHEMBL18128520 0.86 ALDH1A1 (0.31) KHKALDH1A1HPGDKMT2A
SCHEMBL25295905 0.79 KDM4E (0.38) MAPK14KHKADORA2AADORA1KDM4E
SCHEMBL18128716 0.75 KDM4E (0.31) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL29876162 0.75 KDM4E (0.31) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL18153473 0.75 KRAS (0.39) KDM4EMAPT
SCHEMBL31521270 0.74 KHK (0.33) KHKADORA2AADORA1ALDH1A1
SCHEMBL19104274 0.74 KDM4E (0.30) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL25987673 0.73 HTT (0.42) —

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 8 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
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 MAPK14 1148/4885KHK 3927/4885ADORA2A 2742/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPK14 1148/4885KHK 3927/4885ADORA2A 2742/4885

“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.

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