SCHEMBL4374752

SCHEMBL4374752

CC(Nc1nc(N)ncc1CCc1c[nH]c2cc(F)ccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
EGFR P00533 5/20 0.41
HTR1A P08908 1/20 0.40
KDR P35968 2/20 0.40
GPR84 Q9NQS5 2/20 0.40
HTR6 P50406 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACHE P22303 1/20 0.38
HTR7 P34969 1/20 0.37
HTR2C P28335 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 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
SCHEMBL4375552 0.81 HTR7 (0.50) EGFRKDRHTR6MEN1KMT2A
SCHEMBL4373103 0.80 HTR7 (0.43) EGFRKDRMEN1KMT2AHTR7
SCHEMBL4381611 0.78 MEN1 (0.43) EGFRKDRMEN1KMT2AHTR7
SCHEMBL4373030 0.77 HTR7 (0.49) EGFRKDRHTR7LDHALDHB
SCHEMBL4381624 0.75 KMT2A (0.50) HTR2AEGFRHTR1AGPR84MEN1
SCHEMBL4375361 0.74 SOS1 (0.46) EGFRLDHALDHB
SCHEMBL12520417 0.73 EGFR (0.44) HTR2AEGFRHTR1AKDRGPR84
SCHEMBL4374821 0.73 HTR7 (0.43) KDRHTR7LDHALDHB
SCHEMBL4374953 0.73 DHFR (0.49) EGFRKDRHTR7LDHALDHB
SCHEMBL4376714 0.72 EGFR (0.43) EGFRKDRHTR7LDHALDHB

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 HTR2A 7/4885EGFR 2920/4885HTR1A 3/4885

“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.