SCHEMBL3777337

SCHEMBL3777337

COC(=O)CCc1nn(Cc2ccc(OC)cc2)c2ccnc(NC3CCCCC3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE5A O76074 2/20 0.41
P2RX3 P56373 1/20 0.41
POLB P06746 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
EPHX2 P34913 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3781866 0.93 JAK2 (0.49) JAK2ALDH1A1HPGDMAPTCYP1A2
SCHEMBL883468 0.92 JAK2 (0.48) JAK2ALDH1A1HPGDMAPTCYP11B1
SCHEMBL3770178 0.91 JAK2 (0.49) JAK2ALDH1A1HPGDMAPTCYP1A2
SCHEMBL3782012 0.88 JAK2 (0.47) JAK2HPGDMAPTCYP1A2CYP3A4
SCHEMBL3711065 0.87 JAK2 (0.51) JAK2HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL13006215 0.86 JAK2 (0.47) JAK2ALDH1A1HPGDMAPTCYP1A2
SCHEMBL3769196 0.86 JAK2 (0.45) JAK2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL419493 0.86 JAK2 (0.45) JAK2HPGDMAPTCYP1A2CYP3A4
SCHEMBL31500890 0.85 CYP11B1 (0.45) JAK2P2RX3POLBCYP11B1CYP11B2
SCHEMBL19730107 0.85 CYP11B1 (0.45) JAK2P2RX3POLBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1557/4885ALDH1A1 2980/4885HPGD 3618/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885ALDH1A1 2975/4885HPGD 3653/4885

“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.