SCHEMBL6738536

SCHEMBL6738536

CCc1nc2ccnc(-c3cc(F)c(OC)cc3C)c2n1CCCCOC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
BRD4 O60885 1/20 0.34
HASPIN Q8TF76 3/20 0.32
DYRK2 Q92630 2/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6740027 0.77 MAPT (0.43) MAPTTP53GAASMN1; SMN2HASPIN
SCHEMBL6740201 0.77 TP53 (0.44) MAPTTP53SMN1; SMN2
SCHEMBL6739243 0.75 CNR2 (0.41) MAPTTP53GAASMN1; SMN2
SCHEMBL7078722 0.72 NPY1R (0.38)
SCHEMBL6818661 0.70 ALDH1A1 (0.39)
SCHEMBL7027847 0.69
SCHEMBL7034895 0.69
SCHEMBL7036287 0.67
SCHEMBL7037439 0.67
SCHEMBL7029246 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists GILLIGAN PAUL JOSEPH (US) 2004-02-05 US disclosed
US-6579876-B2 Imidazo(4,5-d)pyridazines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-17 US disclosed
US-20030055059-A1 For therapy of psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease GILLIGAN PAUL JOSEPH (US) 2003-03-20 US disclosed
US-6521636-B1 Treatment of psychiatric disorders and neurological diseases BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 US disclosed
US-6365589-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-02 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 (2 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-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists CRH, CRHR1, CRHR2 MAPT 3909/4885TP53 4735/4885GAA 4302/4885
US-20030055059-A1 For therapy of psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease CRH, PCNP, CRHR1 MAPT 29/4885TP53 3519/4885GAA 3167/4885

“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.