SCHEMBL991856

SCHEMBL991856

Brc1c(-c2ccccc2)nc2n1CCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 8/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 5/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 3/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
CFTR P13569 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
SCHEMBL4839190 0.95 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15733342 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL990288 0.84 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11485609 0.81 TGFBR1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4882676 0.80 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15823964 0.80 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL17767446 0.78 TGFBR1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9293426 0.78 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11474630 0.77 HPGD (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9752587 0.75 PDE10A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-20080009506-A1 Imidazole Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 US disclosed
US-20080009506-A1 Imidazole Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 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-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 NPC1 4504/4885RAB9A 1985/4885SMN1; SMN2 4631/4885
US-20080009506-A1 Imidazole Compound KCNH2, KCNJ2, KCNH3 NPC1 3474/4885RAB9A 1955/4885SMN1; SMN2 2468/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 NPC1 2472/4885RAB9A 1892/4885SMN1; SMN2 3611/4885

“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.