SCHEMBL5488989

SCHEMBL5488989

CCC(NCC1CC1)c1nc(C)nc2c1CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.46
MEN1 O00255 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL5495271 0.80 CRHR1 (0.47) CRHR1
SCHEMBL5488985 0.77 CRHR1 (0.46) CRHR1CNR1CNR2
SCHEMBL5495624 0.77 CRHR1 (0.45) CRHR1CNR1CNR2
SCHEMBL5488990 0.76 CRHR1 (0.44) CRHR1CNR1CNR2
SCHEMBL5492052 0.76 CRHR1 (0.50) CRHR1
SCHEMBL5488979 0.75 CRHR1 (0.54) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL2193222 0.74 CRHR1 (0.49) CRHR1MEN1LMNATSHRMAPK1
SCHEMBL5492350 0.73 CRHR1 (0.44) CRHR1CNR2
SCHEMBL6750144 0.73 CRHR1 (0.45) CRHR1
SCHEMBL5492499 0.73 CRHR1 (0.47) CRHR1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 CRHR1 2/4885MEN1 1506/4885NR1I2 472/4885

“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.