SCHEMBL7074425

SCHEMBL7074425

NCCNC(=O)c1ccc2[nH]c(Cc3nc4cc(CN)ccc4[nH]3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
F9 P00740 2/20 0.43
TERT O14746 2/20 0.42
FLT3 P36888 1/20 0.42
F10 P00742 3/20 0.41
TPSAB1 Q15661 3/20 0.41
PRSS1 P07477 2/20 0.41
F2 P00734 2/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
PRMT1 Q99873 2/20 0.41
SUV39H1 O43463 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
F7 P08709 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7075759 0.93 FLT3 (0.49) ALDH1A1F9FLT3POLBHTT
SCHEMBL7073351 0.92 FLT3 (0.46) ALDH1A1F9FLT3POLBHTT
SCHEMBL7071815 0.90 ALDH1A1 (0.44) ALDH1A1F9FLT3POLBHTT
SCHEMBL7068309 0.88 NAMPT (0.50) ALDH1A1POLBTHRBMAPTPKM
SCHEMBL7069978 0.87 RORC (0.43) ALDH1A1MAPT
SCHEMBL7069769 0.87 POLB (0.50) ALDH1A1FLT3POLBHTT
SCHEMBL7073473 0.86 HTR2C (0.47) ALDH1A1PLAUMAPTTSHRMAOB
SCHEMBL7070258 0.86 PLAU (0.53) ALDH1A1PLAUPOLBTHRBMAPT
SCHEMBL7075275 0.86 THRB (0.46) ALDH1A1F9POLBHTTTHRB
SCHEMBL7400914 0.86 HDAC6 (0.49) ALDH1A1POLBHTTMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 ALDH1A1 1860/4885F9 2202/4885TERT 4082/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ALDH1A1 729/4885F9 3853/4885TERT 4467/4885

“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.