SCHEMBL122622

SCHEMBL122622

c1ccc(-c2cn3c4c(ccc3n2)OCC4)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
LTK P29376 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAPK9 P45984 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKX P51817 1/20 0.44
PRKCQ Q04759 1/20 0.44
TNK2 Q07912 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAP2K1 Q02750 1/20 0.43
ALDH1A1 P00352 9/20 0.43
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
PKM P14618 5/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43

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
SCHEMBL28842472 0.67 FGFR1 (0.53) NTRK1IGF1RFGFR1LTKMAP2K2
SCHEMBL170488 0.66 DRD1 (0.34) CLK4MAP2K1MTNR1B
SCHEMBL127496 0.64 MTNR1B (0.63) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29080571 0.64 CLK4 (0.53) NTRK1IGF1RFGFR1LTKMAP2K2
SCHEMBL1104800 0.64 MAPT (0.61) NTRK1IGF1RFGFR1LTKMAP2K2
SCHEMBL29080578 0.64 FGFR1 (0.53) NTRK1IGF1RFGFR1LTKMAP2K2
SCHEMBL6389418 0.62 RAB9A (0.74) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1987470 0.62 NPC1 (0.96) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29541077 0.62 FGFR1 (1.00) NTRK1IGF1RFGFR1LTKMAP2K2
SCHEMBL7875511 0.61 FGFR1 (0.53) NTRK1IGF1RFGFR1LTKMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 EP disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 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 (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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR NTRK1 3325/4885IGF1R 957/4885FGFR1 1556/4885

“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.