SCHEMBL178404

SCHEMBL178404

CNCc1ccnc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.62
LOX P28300 1/20 0.62
HTR7 P34969 4/20 0.42
PRMT6 Q96LA8 2/20 0.41
GSK3B P49841 2/20 0.40
CDK2 P24941 1/20 0.40
PDE5A O76074 1/20 0.39
EPHX2 P34913 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
FFAR1 O14842 1/20 0.38
ADRB2 P07550 1/20 0.38
MMP13 P45452 1/20 0.37

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
Hydrochloric Acid SCHEMBL22164586 0.98 LOX (0.61) LOXL2LOXHTR7PRMT6GSK3B
SCHEMBL21592253 0.84 LOX (0.61) LOXL2LOXGSK3BCDK2PDE5A
SCHEMBL18884427 0.84 LOXL2 (0.66) LOXL2LOXGSK3BCDK2PDE5A
SCHEMBL8179984 0.84 LOXL2 (0.61) LOXL2LOXGSK3BCDK2PDE5A
SCHEMBL14076723 0.84 LOXL2 (0.43) LOXL2LOXPRMT6EPHX2ADRB2
SCHEMBL12582111 0.82 LOX (0.59) LOXL2LOXHTR7GSK3BHTR1A
SCHEMBL104921 0.81 LOX (0.57) LOXL2LOXGSK3BCDK2PDE5A
SCHEMBL805488 0.79 LOXL2 (0.69) LOXL2LOXGSK3BFFAR1GSK3A
SCHEMBL4667737 0.78 LOX (0.54) LOXL2LOX
SCHEMBL13734537 0.78 LOX (0.54) LOXL2LOXGSK3BCDK2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 LOXL2 2114/4885LOX 2566/4885HTR7 919/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 LOXL2 3459/4885LOX 2762/4885HTR7 1883/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 LOXL2 1296/4885LOX 832/4885HTR7 4372/4885

“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.