Sugi Predict

Sugi Predict / Compounds / SCHEMBL20009335

SCHEMBL20009335

SCHEMBL20009335

CC(C)c1nccc2c(Cl)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2A6 P11509 3/20 0.50
▸ NR4A2 P43354 4/20 0.42
▸ ADRA2A P08913 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TDO2 P48775 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ APEX1 P27695 1/20 0.34

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
SCHEMBL13051656 0.78 GABRA1 (0.40) CYP1A2CYP2A6ADRA2AMEN1KMT2A
SCHEMBL1690313 0.77 CYP2D6 (0.40) CYP1A2KDM4EALDH1A1TDP1MAPT
SCHEMBL20221242 0.77 TDO2 (0.36) CYP2A6KDM4EALDH1A1TDO2LMNA
SCHEMBL11261342 0.77 GABRA1 (0.32) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL18101002 0.76 ALDH1A1 (0.48) CYP1A2CYP2A6KDM4EALDH1A1MEN1
SCHEMBL15116438 0.76 CYP1A2 (0.54) CYP1A2CYP2A6NR4A2ADRA2AKDM4E
SCHEMBL19388523 0.76 PLAU (0.54) —
SCHEMBL1315786 0.75 CYP1A2 (0.59) CYP1A2CYP2A6NR4A2ADRA2AKDM4E
SCHEMBL30892029 0.75 CYP1A2 (0.59) CYP1A2CYP2A6NR4A2ADRA2AKDM4E
SCHEMBL13409336 0.75 ATM (0.44) CYP1A2CYP2A6NR4A2ADRA2AKDM4E

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
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 — — US disclosed
US-10479770-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-11-19 — — US disclosed
US-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
US-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
WO-2018057805-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 — — WO 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-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PI4KA CYP1A2 2489/4885CYP2A6 3801/4885NR4A2 2935/4885
US-10479770-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PI4KA CYP1A2 2489/4885CYP2A6 3801/4885NR4A2 2935/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 CYP1A2 4647/4885CYP2A6 4259/4885NR4A2 2006/4885

“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.