Sugi Predict

Sugi Predict / Compounds / SCHEMBL21754101

SCHEMBL21754101

SCHEMBL21754101

CC(C)(C)c1cc(C(C)(C)C)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ DGAT1 O75907 1/20 0.35
▸ CCNT1 O60563 13/20 0.33
▸ CDK9 P50750 13/20 0.33
▸ CDK4 P11802 3/20 0.33
▸ CCND1 P24385 3/20 0.33
▸ CDK7 P50613 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ CDK2 P24941 2/20 0.32
▸ KCNN3 Q9UGI6 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CDK3 Q00526 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL21849086 0.82 KDM4E (0.42) PDE10AKDM4EDGAT1CCNT1CDK9
SCHEMBL22932762 0.82 MEN1 (0.43) PDE10ADGAT1CCNT1CDK9CDK4
SCHEMBL13624090 0.81 PDE10A (0.61) PDE10ADGAT1CCNT1CDK9CDK4
SCHEMBL12952976 0.81 PDE10A (0.61) PDE10AKDM4EDGAT1KCNN3MEN1
SCHEMBL24408174 0.78 CCNT1 (0.51) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL22131142 0.78 PRKAB2 (0.46) PDE10ADGAT1CCNT1CDK9CDK4
SCHEMBL27116430 0.78 PDE10A (0.38) PDE10AKDM4EDGAT1CCNT1CDK9
SCHEMBL24965992 0.78 PDE10A (0.38) PDE10AKDM4EDGAT1CCNT1CDK9
SCHEMBL27114778 0.78 CCNT1 (0.38) PDE10AKDM4ECCNT1CDK9CDK4
SCHEMBL11604848 0.75 ALDH1A1 (0.42) PDE10AKDM4EKCNN3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 — — US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 — — US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 — — US disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 — — US disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 — — 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 (6 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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 PDE10A 2875/4885KDM4E 923/4885DGAT1 1465/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 PDE10A 2875/4885KDM4E 923/4885DGAT1 1465/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 PDE10A 2875/4885KDM4E 923/4885DGAT1 1465/4885
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 PDE10A 2875/4885KDM4E 923/4885DGAT1 1465/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 PDE10A 2875/4885KDM4E 923/4885DGAT1 1465/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 PDE10A 2875/4885KDM4E 923/4885DGAT1 1465/4885

“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.