SCHEMBL2373058

SCHEMBL2373058

Nc1nc(C(F)(F)F)c(Br)nc1C(=O)NC(C1CCCCC1)N1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACVR1 Q04771 3/20 0.32
BMPR1B O00238 2/20 0.32
BMPR1A P36894 2/20 0.32
TGFBR1 P36897 2/20 0.32
ACVRL1 P37023 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
CNR2 P34972 1/20 0.31
P2RX7 Q99572 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11989202 0.78 CFTR (0.42) ACVR1TSHRP2RX7
SCHEMBL2372492 0.74 CFTR (0.41) ACVR1P2RX7
SCHEMBL2373135 0.72 CD274 (0.51) ALDH1A1HPGDTSHRKMT2ASMN1; SMN2
SCHEMBL2382610 0.72 THRB (0.51) ALDH1A1LMNATSHRKMT2A
SCHEMBL2372053 0.72 P2RX7 (0.51) LMNATSHRP2RX7
SCHEMBL2383186 0.71 POLB (0.56) ALDH1A1LMNATSHRP2RX7KMT2A
SCHEMBL2372591 0.71 ALDH1A1 (0.44) CYP3A4CYP2C19ALDH1A1ACVR1L3MBTL1
SCHEMBL14784270 0.68 CFTR (0.42) ALDH1A1P2RX7NPC1GAA
SCHEMBL2372260 0.64 CFTR (0.38) ALDH1A1HPGDHTT
SCHEMBL14816567 0.64 PLAU (0.41) KMT2A

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
WO-2011113894-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2011-09-22 WO disclosed
US-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG 2011-09-22 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-20110230483-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CYP3A4 312/4885CYP2C19 456/4885ALDH1A1 2710/4885

“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.