SCHEMBL2768537

SCHEMBL2768537

O=C(NC1CC1)c1cccc2c1C=Cc1cccc3[nH]nc-2c13

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.40
LRRK2 Q5S007 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX7 Q99572 1/20 0.39
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
CHEK1 O14757 2/20 0.38
GAA P10253 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
CRHR1 P34998 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL2768496 0.81 KDR (0.43) KDRNPC1RAB9AKITFLT3
SCHEMBL2768161 0.77 KDR (0.50) KDRSMN1; SMN2NPC1LRRK2RAB9A
SCHEMBL2768466 0.76 NPSR1 (0.47) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL2768184 0.70 MAP2K4 (0.42) KDRNPC1LRRK2KITFLT3
SCHEMBL2770623 0.70 KDR (0.56) KDRNPC1LRRK2RAB9AKIT
SCHEMBL2769034 0.70 ALDH1A1 (0.46) KDRSMN1; SMN2NPC1RAB9ACHEK1
SCHEMBL2866826 0.67 DYRK1A (0.52) KDRLRRK2MAPK8MAP4K4CSNK1D
SCHEMBL29549962 0.66 KDR (1.00) KDR
SCHEMBL17034074 0.66 KDR (1.00) KDR
SCHEMBL13635734 0.65 DYRK1A (0.52) KDRLRRK2CRHR1MAPK8MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 US disclosed
US-8501812-B2 Therapeutic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS (US) 2013-08-06 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed
US-20060111419-A1 Novel fused indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-25 US disclosed
EP-1479670-A1 NOVEL FUSED RING INDAZOLE COMPOUNDS Eisai Co., Ltd. (JP) 2004-11-24 EP 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-20060111419-A1 Novel fused indazole compounds MAP2K3, MAP3K11, MAP2K2 KDR 3156/4885SMN1; SMN2 4492/4885NPC1 1991/4885
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 KDR 3572/4885SMN1; SMN2 1950/4885NPC1 4384/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 KDR 3572/4885SMN1; SMN2 1950/4885NPC1 4384/4885

“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.