SCHEMBL3889028

SCHEMBL3889028

C=CCC1CCN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.54
ELANE P08246 6/20 0.51
F2 P00734 3/20 0.50
CTSG P08311 2/20 0.50
F13A1 P00488 3/20 0.49
TGM2 P21980 3/20 0.49
TGM1 P22735 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GRIN2B Q13224 4/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3885575 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19ELANE
SCHEMBL13652377 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19ELANE
SCHEMBL844352 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL844351 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14425191 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL844353 0.85 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5351879 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5351884 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13575597 0.84 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14425192 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
EP-1599482-A4 PYRAZOLO 1,5-A PYRIMIDINE DERIVATIVES TEIJIN PHARMA LTD (JP) 2008-10-01 EP disclosed
US-20060189632-A1 Pyrazolo[1,5-A] pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2006-08-24 US disclosed
EP-1599482-A1 PYRAZOLO 1,5-A PYRIMIDINE DERIVATIVES Teijin Pharma Limited (JP) 2005-11-30 EP disclosed
WO-2004076458-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES TEIJIN PHARMA LIMITED (JP) 2004-09-10 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-20060189632-A1 Pyrazolo[1,5-A] pyrimidine derivatives MAP3K1, MAP3K5, MAP3K15 SMN1; SMN2 3775/4885NPC1 4404/4885RAB9A 1381/4885

“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.