SCHEMBL4381611

SCHEMBL4381611

CC(Nc1nc(N)ncc1CCc1ccccc1F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
GBA1 P04062 1/20 0.43
KMT2A Q03164 1/20 0.43
BCL6 P41182 1/20 0.42
LDHB P07195 5/20 0.40
LDHA P00338 4/20 0.40
NUDT1 P36639 1/20 0.40
HTR7 P34969 4/20 0.39
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
EGFR P00533 2/20 0.38
KDR P35968 2/20 0.38

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
SCHEMBL4373030 0.86 HTR7 (0.49) LDHBLDHANUDT1HTR7ADRA1D
SCHEMBL4375552 0.86 HTR7 (0.50) MEN1KMT2AHTR7ADRA1DADRA1A
SCHEMBL4375361 0.84 SOS1 (0.46) LDHBLDHAKRASSOS1EGFR
SCHEMBL4373103 0.83 HTR7 (0.43) MEN1KMT2ALDHBLDHANUDT1
SCHEMBL4374821 0.82 HTR7 (0.43) LDHBLDHANUDT1HTR7KRAS
SCHEMBL4372989 0.82 CSF1R (0.48) KMT2AHTR7SOS1ADRA1DADRA1A
SCHEMBL4376714 0.81 EGFR (0.43) LDHBLDHANUDT1HTR7KRAS
SCHEMBL4374843 0.81 HTR7 (0.42) BCL6LDHBLDHANUDT1HTR7
SCHEMBL4382847 0.81 EGFR (0.46) MEN1KMT2ALDHBLDHAHTR7
SCHEMBL4374758 0.81 HTR7 (0.54) HTR7ADRA1DADRA1AADRA1B

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
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP claimed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP claimed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP claimed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US claimed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 WO claimed
EP-1280781-B1 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-11-18 EP disclosed
US-6630469-B2 Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, cicadian rhythm disorders and hypertension BRISTOL-MYERS SQUIBB COMPANY 2003-10-07 US disclosed
EP-1280781-A4 5-HT 7 RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2003-08-06 EP disclosed
EP-1280781-A1 5-HT 7 RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2003-02-05 EP disclosed
US-20020032199-A1 5-HT7 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2002-03-14 US disclosed
WO-2001085701-A1 5-HT7 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-15 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 (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-20020032199-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A MEN1 3987/4885GBA1 4437/4885KMT2A 2361/4885

“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.