SCHEMBL3769153

SCHEMBL3769153

COc1ccc(Cn2nc(C=Cc3ccncc3)c3c(NC4CCCCC4)nccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
PDE5A O76074 2/20 0.39
BUB1 O43683 4/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AOC3 Q16853 2/20 0.36
KDR P35968 1/20 0.36
POLB P06746 3/20 0.35
ROCK2 O75116 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL3769148 1.00 JAK2 (0.44) JAK2PDE5ABUB1KDM4ENPC1
SCHEMBL3768714 0.93 JAK2 (0.44) JAK2PDE5ABUB1KDM4ENPC1
SCHEMBL3768711 0.93 JAK2 (0.44) JAK2PDE5ABUB1KDM4ENPC1
SCHEMBL3772609 0.89 JAK2 (0.49) JAK2PDE5ANPC1AOC3POLB
SCHEMBL3772605 0.89 JAK2 (0.49) JAK2PDE5ANPC1AOC3POLB
SCHEMBL3773025 0.88 JAK2 (0.42) JAK2PDE5ASMN1; SMN2POLBMAPT
SCHEMBL3773019 0.88 JAK2 (0.42) JAK2PDE5ASMN1; SMN2POLBMAPT
SCHEMBL3775398 0.87 JAK2 (0.43) JAK2PDE5ABUB1KDM4EAOC3
SCHEMBL3775402 0.87 JAK2 (0.43) JAK2PDE5ABUB1KDM4EAOC3
SCHEMBL416411 0.85 JAK2 (0.48) JAK2PDE5ANPC1CYP1A2CYP3A4

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-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

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 1557/4885PDE5A 3820/4885BUB1 3878/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 JAK2 1492/4885PDE5A 3832/4885BUB1 3897/4885

“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.