Sugi Predict

Sugi Predict / Compounds / SCHEMBL4091738

SCHEMBL4091738

SCHEMBL4091738

Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cc(NC(=O)NCCCN(C)C)c2nccn2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.48
▸ ACKR3 P25106 1/20 0.41
▸ SYK P43405 3/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CACNA1H O95180 2/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TET3 O43151 1/20 0.36
▸ TET2 Q6N021 1/20 0.36
▸ TET1 Q8NFU7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TERT O14746 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL4086749 0.92 BTK (0.58) BTKACKR3
SCHEMBL13771500 0.92 BTK (0.47) BTKACKR3SYKMAPTCACNA1H
SCHEMBL4090993 0.91 BTK (0.52) BTKACKR3SYKCACNA1HCACNA1B
SCHEMBL4084871 0.90 BTK (0.51) BTKSYKNPC1ALDH1A1LMNA
SCHEMBL4090411 0.90 BTK (0.49) BTKACKR3SYKCACNA1HCACNA1B
SCHEMBL4085985 0.88 BTK (0.49) BTKACKR3SYKL3MBTL1
SCHEMBL4090445 0.87 BTK (0.54) BTKSYKNPC1ALDH1A1LMNA
SCHEMBL4086768 0.83 BTK (0.61) BTKSYKNPC1MAPK1RAB9A
SCHEMBL13771582 0.80 BTK (0.52) BTKSYKALDH1A1LMNAMAPT
SCHEMBL2932606 0.79 BTK (0.63) BTKNPC1LMNAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — 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 (1 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885ACKR3 1131/4885SYK 2/4885

“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.