SCHEMBL3137718

SCHEMBL3137718

FC(F)(F)c1cccc(Nc2cc3c4c(c2)[C@@H]2CNC[C@@H]2CN4CCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
MAPT P10636 1/20 0.41
IDH2 P48735 9/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
BTK Q06187 1/20 0.38
APP P05067 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAP3K7 O43318 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
SYK P43405 1/20 0.36
BLK P51451 1/20 0.36
RIPK4 P57078 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAP2K5 Q13163 1/20 0.36

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
SCHEMBL3136353 0.91 CAMK1D (0.35) KIF11HTR2AHTR2CHTR2BCAMK1D
SCHEMBL3138006 0.89 KIF11 (0.37) KIF11HTR2AHTR2CHTR2BCAMK1D
SCHEMBL3131288 0.88 CAMK1D (0.34) HTR2AHTR2CHTR2BCAMK1D
SCHEMBL3135485 0.86 BPTF (0.36) MAPTHTR2C
SCHEMBL3133874 0.86 BPTF (0.36) MAPTHTR2C
SCHEMBL3132788 0.85 KDM4E (0.39) HTR2AHTR2CHTR2B
SCHEMBL3134654 0.85 HTT (0.38) MAPTHTR2CMAPK14SYKKCNH2
SCHEMBL3136799 0.85 KIF11 (0.32) KIF11HTR2AHTR2CHTR2B
SCHEMBL3136383 0.84 POLB (0.37) MAPTHTR2AHTR2CHTR2BMAPK1
SCHEMBL3135534 0.84 POLB (0.37) MAPTHTR2AHTR2CHTR2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777406-B2 SUCH AS PYRIDO(3,2,1-IJ)PYRROLO(3,4-C)QUINOLIN-8-ONE DERI-VATIVES; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-17 US claimed
EP-1399445-B9 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
EP-1399445-B9 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
EP-1399445-B1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-08-05 EP disclosed
EP-1399445-B1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-08-05 EP disclosed
US-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2004-05-13 US 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-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS HTR1B, HTR2B, HTR1A KIF11 3138/4885MAPT 3299/4885IDH2 4660/4885

“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.