SCHEMBL4700419

SCHEMBL4700419

O=C(NCCCCN1CCCC1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CA3 P07451 2/20 0.55
CA5A P35218 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
EPHX1 P07099 1/20 0.51
RAD52 P43351 1/20 0.48
DRD2 P14416 5/20 0.47
DRD4 P21917 5/20 0.47
LMNA P02545 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
SCHEMBL5566464 0.86 CA12 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL25587358 0.81 DRD4 (0.60) RAD52DRD2DRD4HTR3A
SCHEMBL7262281 0.81 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3749226 0.80 LMNA (0.72) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL27889238 0.79 ALDH1A1 (1.00) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL31283166 0.78 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2755862 0.78 RAD52 (0.53) ALDH1A1SMN1; SMN2CA12CA2CA9
SCHEMBL29982917 0.77 MEN1 (1.00) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5507738 0.77 DRD2 (0.56) ALDH1A1SMN1; SMN2RAD52DRD2DRD4
SCHEMBL6477470 0.77 HTR1A (0.52) RAD52DRD2HTR3AHRH3PHF13

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
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP claimed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 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-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 ALDH1A1 933/4885POLB 3110/4885SMN1; SMN2 4134/4885

“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.