SCHEMBL17036636

SCHEMBL17036636

CC(C)Nc1ccc2nc[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
QPCT Q16769 12/20 0.52
NAMPT P43490 1/20 0.49
MMP12 P39900 1/20 0.49
PRKCI P41743 1/20 0.49
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
RAD52 P43351 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL18649372 0.87 ADRA2A (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL19558168 0.86 ADRA2A (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL11557199 0.82 NAMPT (0.52) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2544250 0.82 QPCT (0.67) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2545182 0.82 EPHX1 (0.48) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL5063947 0.80 ADRA2A (0.58) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2541647 0.79 ADRA2A (0.50) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16434608 0.77 QPCT (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL28086633 0.77 EPHX1 (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL11580425 0.77 QPCT (0.63) QPCTNAMPTHTTMAPTEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-06 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ADRA2A 3346/4885ADRA2C 3128/4885ADRA1D 725/4885
US-20170189410-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ADRA2A 3346/4885ADRA2C 3128/4885ADRA1D 725/4885

“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.