SCHEMBL1368996

SCHEMBL1368996

Cc1c(Br)cnn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ MAPT P10636 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ RXFP1 Q9HBX9 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ PAX8 Q06710 1/20 0.58
▸ MAPK1 P28482 1/20 0.54
▸ HPGD P15428 2/20 0.47
▸ NPBWR1 P48145 1/20 0.47
▸ GRM4 Q14833 1/20 0.46
▸ SLC9A1 P19634 1/20 0.46
▸ SLC9A2 Q9UBY0 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SMO Q99835 1/20 0.46

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
SCHEMBL3841619 0.79 MAPK1 (0.58) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL14495381 0.76 MAPK1 (0.59) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL33199 0.76 MAPK1 (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3841617 0.76 MAPK1 (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1816086 0.76 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9026724 0.76 RAB9A (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1905374 0.76 MAPK1 (0.54) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL31276314 0.76 ALDH1A1 (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2996961 0.75 ALDH1A1 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31276196 0.74 LMNA (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 — — US disclosed
US-9187454-B2 Inhibitors of kinases and cancer stem cells, and methods of preparation and use thereof BOSTON BIOMEDICAL, INC. (US) 2015-11-17 — — US disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 — — US disclosed
US-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF BOSTON BIOMEDICAL, INC. 2014-09-18 — — US disclosed
US-8410128-B2 Triazolopyridine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 — — US disclosed
US-8338604-B2 Imidazopyridine and imidazopyrazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-25 — — US disclosed
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 — — US disclosed
EP-2307411-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-04-13 — — EP disclosed
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — US disclosed
EP-2300466-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-30 — — EP disclosed
WO-2009155388-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 — — WO disclosed
WO-2009155389-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 — — 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 (3 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-20140275033-A1 INHIBITORS OF KINASES AND CANCER STEM CELLS, AND METHODS OF PREPARATION AND USE THEREOF MAP3K1, MAP3K6, MAP3K9 NPC1 3118/4885RAB9A 1302/4885MAPT 3599/4885
US-20110077243-A1 Triazolopyridine Compounds Useful As Kinase Inhibitors MAP3K1, MAP3K5, MAP3K8 NPC1 1606/4885RAB9A 1473/4885MAPT 1548/4885
US-20110288085-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAPKAPK2, MAP3K5 NPC1 2307/4885RAB9A 2051/4885MAPT 2197/4885

“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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