Sugi Predict

Sugi Predict / Compounds / SCHEMBL12352

SCHEMBL12352

SCHEMBL12352

Cc1ccc2c(C)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.56
▸ HTR2A P28223 2/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.52
▸ NR4A2 P43354 2/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KIF11 P52732 2/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ PCSK9 Q8NBP7 1/20 0.44
▸ HTR1D P28221 1/20 0.42
▸ NR3C1 P04150 2/20 0.41
▸ PIM3 Q86V86 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL29555842 1.00 ATM (0.56) ATMHTR2ARXFP1NR4A2MEN1
SCHEMBL12376 0.82 ATM (0.56) ATMHTR2ANR4A2MEN1KMT2A
SCHEMBL29777537 0.82 ATM (0.56) ATMHTR2ANR4A2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL23704299 0.80 ATM (0.54) ATMHTR2ANR4A2MEN1KMT2A
SCHEMBL8269432 0.78 HTR2A (0.51) HTR2ARXFP1NR4A2MEN1KMT2A
SCHEMBL11489 0.78 CYP2A6 (0.55) ATMNR4A2IDO1
SCHEMBL2550995 0.78 KDM4E (0.56) ATMHTR2AMEN1KMT2AHTR1D
SCHEMBL21623869 0.78 HTR2A (0.56) HTR2ARXFP1NR4A2MEN1KMT2A
SCHEMBL8342033 0.78 HTR2A (0.51) HTR2ARXFP1NR4A2MEN1KMT2A
SCHEMBL13969930 0.78 ATM (0.52) ATMHTR2ARXFP1NR4A2MEN1

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 290 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 — — WO disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 — — US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 — — US disclosed
WO-2023180964-A1 PYRAZINE AMIDE DERIVATIVES NOVARTIS AG (CH) 2023-09-28 — — WO disclosed
EP-3805214-B1 JAK3 SELECTIVE INHIBITOR UNIV PEKING SHENZHEN GRADUATE SCHOOL (CN) 2023-07-05 — — EP disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 — — US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 — — US disclosed
WO-2023008376-A1 COMPOUND, COMPOSITION, AND PHOTOELECTRIC CONVERSION ELEMENT 住友化学株式会社 2023-02-02 — — WO disclosed
CN-109715617-B Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 百时美施贵宝公司 2022-04-19 — — CN disclosed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — WO disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — WO disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 — — WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — WO disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — WO disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 — — WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 — — WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 — — WO disclosed
US-4443615-A ANILINE, GLYCOL OR EPOXIDE, SILICA AND/OR ALUMINA CATALYST TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 — — 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 (4 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ATM 2410/4885HTR2A 233/4885RXFP1 286/4885
US-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 ATM 2957/4885HTR2A 3199/4885RXFP1 491/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 ATM 4411/4885HTR2A 3125/4885RXFP1 2233/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ATM 392/4885HTR2A 2293/4885RXFP1 1552/4885

“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.