SCHEMBL19289596

SCHEMBL19289596

C=Cc1ccc(CC(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ CXCR1 P25024 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ NR1I3 Q14994 1/20 0.34
▸ SLC22A6 Q4U2R8 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
SCHEMBL22343670 0.84 KDM4E (0.40) KDM4EL3MBTL1ESR1CPB2BTK
SCHEMBL15007 0.78 KDM4E (0.61) KDM4EL3MBTL1BTK
SCHEMBL19728335 0.76 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL13044959 0.76 CYP11B1 (0.42) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL25636541 0.75 CCR1 (0.41) L3MBTL1GABRA1GABRB2PTGS1PTGS2
SCHEMBL19735731 0.74 KDM4E (0.45) KDM4EL3MBTL1LMNANFKB1TSHR
SCHEMBL14406088 0.74 ESR1 (0.47) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL19728333 0.74 GABRA1 (0.37) KDM4EGABRA1GABRB2MAPK1BTK
SCHEMBL14878746 0.74 KDM4E (0.39) KDM4EL3MBTL1BTK
SCHEMBL11124858 0.74 ALDH1A1 (0.41) KDM4EL3MBTL1GABRA1GABRB2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229639-B2 Camptothecin derivatives IMMUNOGEN, INC. (US) 2022-01-25 — — US disclosed
US-11053197-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 — — US disclosed
US-20210077482-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. 2021-03-18 — — US disclosed
US-20200255377-A1 CARBAZOLE DERIVATIVES Organization Name: BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-13 — — US disclosed
US-10676434-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 — — US disclosed
US-20190225583-A1 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2019-07-25 — — US disclosed
US-10266491-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-23 — — US disclosed
US-20170362176-A1 CARBAZOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-21 — — US disclosed
US-20170362176-A1 CARBAZOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-21 — — US disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 — — EP 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 (8 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-10266491-B2 Carbazole derivatives BTK, SYK, JAK2 KDM4E 1490/4885L3MBTL1 1355/4885GABRA1 1512/4885
US-10676434-B2 Carbazole derivatives BTK, SYK, JAK2 KDM4E 1307/4885L3MBTL1 1459/4885GABRA1 1533/4885
US-20210077482-A1 CAMPTOTHECIN DERIVATIVES TOP2A, TOP2B, PCNA KDM4E 4588/4885L3MBTL1 1452/4885GABRA1 4351/4885
US-20170362176-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 KDM4E 1490/4885L3MBTL1 1355/4885GABRA1 1512/4885
US-11053197-B2 Carbazole derivatives BTK, SYK, JAK2 KDM4E 1307/4885L3MBTL1 1459/4885GABRA1 1533/4885
US-20190225583-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 KDM4E 1307/4885L3MBTL1 1459/4885GABRA1 1533/4885
US-11229639-B2 Camptothecin derivatives TOP2A, TOP2B, PCNA KDM4E 4588/4885L3MBTL1 1452/4885GABRA1 4351/4885
US-20200255377-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 KDM4E 1307/4885L3MBTL1 1459/4885GABRA1 1533/4885

“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.

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