Sugi Predict

Sugi Predict / Compounds / SCHEMBL21972038

SCHEMBL21972038

SCHEMBL21972038

CC(C)(C)c1ccnc(-c2cccc(-c3cc(C(C)(C)C)ccn3)c2C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ ACHE P22303 3/20 0.34
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL18571685 0.81 CYP1A2 (0.45) L3MBTL1NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL347025 0.80 CCR1 (0.48) KIF11ALDH1A1METAP2ACHEHDAC8
SCHEMBL29373631 0.80 CCR1 (0.48) KIF11ALDH1A1METAP2ACHEHDAC8
SCHEMBL29453375 0.80 CCR1 (0.48) KIF11ALDH1A1METAP2ACHEHDAC8
SCHEMBL23599062 0.79 KDM1A (0.48) L3MBTL1NPC1RAB9AALDH1A1PLA2G1B
SCHEMBL26829136 0.79 NPC1 (0.42) KIF11L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL26657406 0.79 NPC1 (0.39) KIF11L3MBTL1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL23538061 0.78 CCR1 (0.46) KIF11L3MBTL1ALDH1A1METAP2ACHE
SCHEMBL15663789 0.78 CCR1 (0.46) KIF11L3MBTL1ALDH1A1METAP2ACHE
SCHEMBL2783812 0.78 CCR1 (0.46) KIF11L3MBTL1ALDH1A1METAP2ACHE

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-11802136-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-31 — — US disclosed
US-11802136-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-10-31 — — US disclosed
US-20210175443-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-06-10 — — US disclosed
US-20200140471-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-05-07 — — 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-20200140471-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP, OCIAD1, OCIAD2 KIF11 3183/4885L3MBTL1 2240/4885NPC1 128/4885
US-20210175443-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OTC KIF11 2352/4885L3MBTL1 765/4885NPC1 1690/4885
US-11802136-B2 Organic electroluminescent materials and devices OSBP, OCIAD1, OCIAD2 KIF11 3183/4885L3MBTL1 2240/4885NPC1 128/4885

“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.