SCHEMBL19162425

SCHEMBL19162425

Cc1nc(C(C)(C)C)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.55
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 2/20 0.55
HPGD P15428 1/20 0.55
NUDT1 P36639 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PRNP P04156 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
PLA2G1B P04054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MPO P05164 1/20 0.46
RAD52 P43351 1/20 0.46
ATM Q13315 1/20 0.44
CCNE2 O96020 3/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44

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
SCHEMBL15215642 0.83 ALDH1A1 (0.50) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL14016160 0.82 CCNE2 (0.58) GPR3ALDH1A1CYP1A2HPGDNUDT1
SCHEMBL10139179 0.80 ALDH1A1 (0.47) GPR3ALDH1A1HPGDHSD17B10PRNP
SCHEMBL25054659 0.78 CCNE2 (0.46) GPR3ALDH1A1PRNPLMNAMAPT
SCHEMBL12070723 0.78 MAOA (0.47) GPR3ALDH1A1PRNPLMNAMAPT
SCHEMBL15829295 0.78 DCPS (0.57) ALDH1A1CYP1A2HPGDNUDT1HSD17B10
SCHEMBL17250761 0.78 ALDH1A1 (0.49) GPR3ALDH1A1PRNPLMNAMAPT
SCHEMBL16520903 0.77 ADORA2A (0.55) ALDH1A1HPGDNUDT1LMNAMAPT
SCHEMBL26544117 0.77 TYMS (0.46) GPR3ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL19670057 0.76 ALDH1A1 (0.43) GPR3ALDH1A1PRNPLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795161-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-10-24 US disclosed
US-11795161-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-10-24 US disclosed
US-20230157161-A1 ORGANIC MATERIAL COMPOSITION AND APPLICATIONS THEREOF NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-05-18 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20230134923-A1 ORGANIC MATERIAL COMPOSITION AND APPLICATIONS THEREOF NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-05-04 US disclosed
US-20230125329-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-04-27 US disclosed
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 WO disclosed
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2018-07-31 US disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 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 (8 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 GPR3 2438/4885ALDH1A1 399/4885CYP1A2 2939/4885
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) PER2, CRY1, CRY2 GPR3 3875/4885ALDH1A1 1815/4885CYP1A2 638/4885
US-11795161-B2 Compound and organic light emitting device comprising same CRY1, CRY2, CYP1A1 GPR3 2169/4885ALDH1A1 13/4885CYP1A2 11/4885
US-20230134923-A1 ORGANIC MATERIAL COMPOSITION AND APPLICATIONS THEREOF PIEZO1, VCL, VDAC3 GPR3 3911/4885ALDH1A1 2385/4885CYP1A2 1437/4885
US-20230157161-A1 ORGANIC MATERIAL COMPOSITION AND APPLICATIONS THEREOF PIEZO1, VCL, VDAC3 GPR3 3911/4885ALDH1A1 2385/4885CYP1A2 1437/4885
US-20230125329-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE PIEZO1, EPCAM, L1CAM GPR3 4474/4885ALDH1A1 1304/4885CYP1A2 1695/4885
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same NPM1, PER2, CRY1 GPR3 3661/4885ALDH1A1 2342/4885CYP1A2 1316/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 GPR3 3632/4885ALDH1A1 331/4885CYP1A2 667/4885

“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.