SCHEMBL18136223

SCHEMBL18136223

CC1CN(c2ncccc2F)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.48
GRM4 Q14833 1/20 0.43
CHI3L1 P36222 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHIT1 Q13231 1/20 0.42
CHI3L2 Q15782 1/20 0.42
CHIA Q9BZP6 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.41
DRD4 P21917 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDK2 Q15119 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HSD11B1 P28845 2/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL29414908 0.81 GRM1 (0.45) GRM1GRM4CHI3L1KCNH2CHIT1
SCHEMBL20283147 0.81 GRM4 (0.48) GRM1GRM4CHI3L1KCNH2CHIT1
SCHEMBL19116107 0.81 GRM1 (0.45) GRM1GRM4CHI3L1KCNH2CHIT1
SCHEMBL19115704 0.81 GRM1 (0.45) GRM1GRM4CHI3L1KCNH2CHIT1
SCHEMBL18133860 0.81 GRM1 (0.45) GRM1GRM4CHI3L1KCNH2CHIT1
SCHEMBL20244837 0.80 HSD11B1 (0.46) KMT2ATRPV1HSD11B1
SCHEMBL22210095 0.79 GRM1 (0.43) GRM1GRM4CHI3L1KCNH2CHIT1
SCHEMBL26771161 0.79 KMT2A (0.41) KMT2ATRPV1HSD11B1LRRK2
SCHEMBL26771165 0.79 KMT2A (0.41) KMT2ATRPV1HSD11B1LRRK2
SCHEMBL31595778 0.78 GRM1 (0.48) GRM1GRM4CHI3L1KCNH2CHIT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
WO-2023164234-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 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
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 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 (3 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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS GRM1 947/4885GRM4 3261/4885CHI3L1 4342/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 GRM1 3392/4885GRM4 4536/4885CHI3L1 2860/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS GRM1 828/4885GRM4 3077/4885CHI3L1 4646/4885

“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.