SCHEMBL4110171

SCHEMBL4110171

Cc1ccc(-c2nc(C(C)C)nc(C(C)C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 2/20 0.51
LMNA P02545 2/20 0.51
PTBP1 P26599 1/20 0.51
CYP2C19 P33261 1/20 0.51
TNFSF10 P50591 1/20 0.51
NPSR1 Q6W5P4 5/20 0.42
XBP1 P17861 2/20 0.42
ATM Q13315 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL21398157 0.98 NPC1 (0.50) NPC1RAB9AHTTCYP1A2LMNA
SCHEMBL29325032 0.82 RAB9A (0.50) NPC1RAB9AHTTCYP1A2LMNA
SCHEMBL12311576 0.82 RAB9A (0.50) NPC1RAB9AHTTCYP1A2LMNA
SCHEMBL28827842 0.80 NPC1 (0.52) NPC1RAB9AHTTCYP1A2LMNA
SCHEMBL28827854 0.80 HTR2A (0.47) NPC1RAB9AHTTCYP1A2CYP2C19
SCHEMBL23281011 0.80 ALDH1A1 (0.43) NPC1RAB9AHTTCYP1A2LMNA
SCHEMBL28827821 0.80 RAB9A (0.43) NPC1RAB9ACYP1A2LMNANPSR1
SCHEMBL11810896 0.80 L3MBTL1 (0.52) NPC1RAB9AHTTCYP1A2LMNA
SCHEMBL6111135 0.80 L3MBTL1 (0.52) NPC1RAB9AHTTCYP1A2LMNA
SCHEMBL17694643 0.79 L3MBTL1 (0.54) NPC1RAB9AHTTLMNAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010673-B Method for synthesizing 1,3, 5-triazine compounds under visible light-induced metal-free catalysis condition 河南大学 2024-01-30 CN disclosed
US-11844272-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 US disclosed
CN-115010673-A Method for synthesizing 1,3,5-triazine compound under visible light induction and metal-free catalysis condition 河南大学 2022-09-06 CN disclosed
US-20090042134-A1 Photosensitive composition, photosensitive planographic printing plate material, and image forming method of photosensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2009-02-12 US disclosed
US-20070015086-A1 Photosensitive composition, photosensitive planographic printing plate material, and image forming method of photosensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2007-01-18 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 (1 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-11844272-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device PIEZO1, LEF1, ODC1 NPC1 2881/4885RAB9A 3468/4885HTT 4684/4885

“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.