SCHEMBL19115758

SCHEMBL19115758

Cc1ccc2[nH]nc(C#N)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.38
ERBB2 P04626 2/20 0.35
LRRK2 Q5S007 6/20 0.34
NTRK1 P04629 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPK6 Q16659 1/20 0.32
AURKA O14965 2/20 0.31
AURKB Q96GD4 2/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
CHUK O15111 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
INSR P06213 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31
FGFR1 P11362 1/20 0.31

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
SCHEMBL26096218 0.82 MAP2K1 (0.36) MAP2K1ERBB2LRRK2NTRK1AURKA
SCHEMBL19104234 0.82 ERBB2 (0.34) MAP2K1ERBB2LRRK2MAPK1MAP2K4
SCHEMBL19115902 0.82 ERBB2 (0.35) MAP2K1ERBB2MAPK1GRM5
SCHEMBL3673625 0.80 MAPK1 (0.47) MAP2K1ERBB2LRRK2NTRK1MAPK1
SCHEMBL30201734 0.80 MAPK1 (0.47) MAP2K1ERBB2LRRK2NTRK1MAPK1
SCHEMBL18408664 0.76 CYP1A2 (0.37) MAPK1MAP2K4MAPKAPK2MAPK6CHEK1
SCHEMBL26577963 0.75
SCHEMBL23206119 0.73 GAA (0.35) MAPK1MAP2K4MAPKAPK2MAPK6CHEK1
SCHEMBL25667774 0.73 MAPK1 (0.33) MAPK1MAP2K4MAPKAPK2MAPK6AURKA
SCHEMBL25667658 0.73 MAPK1 (0.40) MAPK1MAP2K4MAPKAPK2MAPK6CHEK1

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
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
WO-2018140514-A1 1-(6-(3-HYDROXYNAPHTHALEN-1-YL)QUINAZOLIN-2-YL)AZETIDIN-1-YL)PROP-2-EN-1-ONE DERIVATIVES AND SIMILAR COMPOUNDS AS KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
WO-2018140599-A1 BENZOTHIOPHENE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
WO-2018140512-A1 FUSED BICYCLIC BENZOHETEROAROMATIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
WO-2018140598-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
WO-2018140600-A1 FUSED HETERO-HETERO BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 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 (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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS MAP2K1 250/4885ERBB2 218/4885LRRK2 79/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAP2K1 237/4885ERBB2 183/4885LRRK2 130/4885

“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.