Sugi Predict

Sugi Predict / Compounds / SCHEMBL4086278

SCHEMBL4086278

SCHEMBL4086278

Cc1c(NC(=O)Nc2cccc(Cl)c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2nccn2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.61
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CLK2 P49760 1/20 0.46
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TP53 P04637 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
SCHEMBL4085050 0.93 BTK (0.64) BTKALDH1A1HPGDHTTKDM4E
SCHEMBL4093288 0.90 BTK (0.64) BTKKDM4ERAB9ACLK2
SCHEMBL4094974 0.89 BTK (0.77) BTKCLK2
SCHEMBL13765464 0.88 BTK (0.66) BTKKDM4ERAB9ACLK2
SCHEMBL4085783 0.88 BTK (0.62) BTKKDM4ERAB9ACLK2
SCHEMBL4091667 0.88 BTK (0.62) BTKKDM4ERAB9ACLK2
SCHEMBL4091565 0.87 BTK (0.62) BTKKDM4ERAB9ACLK2
SCHEMBL13765490 0.87 BTK (0.63) BTKKDM4ERAB9ACLK2
SCHEMBL4094714 0.86 BTK (0.60) BTKKDM4ERAB9ACLK2
SCHEMBL4086792 0.86 BTK (0.61) BTKKDM4ERAB9ACLK2

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 1/4885ALDH1A1 4319/4885HPGD 3682/4885

“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.