SCHEMBL990288

SCHEMBL990288

Fc1ccc(-c2nc3n(c2Br)CCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
TGFBR1 P36897 4/20 0.53
TGFBR2 P37173 2/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CSNK1D P48730 4/20 0.39
CSNK1E P49674 4/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL15823964 0.95 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ATGFBR1TGFBR2
SCHEMBL991856 0.84 NPC1 (0.65) SMN1; SMN2NPC1RAB9ATGFBR1ATM
SCHEMBL15733342 0.83 NPC1 (0.63) SMN1; SMN2NPC1RAB9ATGFBR1ATM
SCHEMBL9436258 0.83 TGFBR1 (0.69) SMN1; SMN2NPC1RAB9ATGFBR1TGFBR2
SCHEMBL4839190 0.79 NPC1 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL9293426 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ATGFBR1TGFBR2
SCHEMBL15823276 0.78 CSNK1D (0.42) SMN1; SMN2NPC1RAB9AALDH1A1CSNK1D
SCHEMBL7343693 0.77 TGFBR1 (0.65) SMN1; SMN2TGFBR1TGFBR2CSNK1DCSNK1E
SCHEMBL7378515 0.77 TGFBR1 (0.65) SMN1; SMN2TGFBR1TGFBR2CSNK1DCSNK1E
SCHEMBL17767627 0.74 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATGFBR1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 EP disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 EP disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20160257690-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2016-09-08 US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
US-4751310-A Inhibition of the 5-lipoxygenase pathway SMITHKLINE BECKMAN CORPORATION (US) 1988-06-14 US disclosed
US-4719218-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed
CN-86108538-A The inhibition of 5-lipoxygenase pathway 1987-07-29 CN 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 SMN1; SMN2 4631/4885NPC1 4504/4885RAB9A 1985/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 SMN1; SMN2 2084/4885NPC1 2491/4885RAB9A 2258/4885
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 SMN1; SMN2 4413/4885NPC1 1925/4885RAB9A 2123/4885
US-20160257690-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 SMN1; SMN2 2084/4885NPC1 2491/4885RAB9A 2258/4885

“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.