SCHEMBL3702853

SCHEMBL3702853

Cn1ncc2cc(Nc3nc(N4CCC5(CCN(C(=O)O)C5)CC4)c4occc4n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
EGFR P00533 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
TGFBR1 P36897 1/20 0.35
SOS1 Q07889 2/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
CD69 Q07108 1/20 0.35
CDC7 O00311 1/20 0.35
SYK P43405 5/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 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
SCHEMBL3699332 0.96 BRD4 (0.36) BRD4CREBBPEGFRCCNCCDK8
SCHEMBL1709894 0.83 SYK (0.41) BRD4CREBBPEGFRCCNCCDK8
SCHEMBL1709778 0.82 CCNC (0.38) BRD4CREBBPEGFRCCNCCDK8
SCHEMBL3703792 0.80 JAK2 (0.43) ALDH1A1MAPTHPGDJAK3SYK
SCHEMBL3712744 0.80 SYK (0.37) BRD4CREBBPEGFRNPC1ALDH1A1
SCHEMBL3712741 0.80 TBK1 (0.39) BRD4CREBBPEGFRNPC1ALDH1A1
SCHEMBL3701522 0.80 SYK (0.44) JAK3BTKCD69SYKTBK1
SCHEMBL3702367 0.79 JAK2 (0.53) NPC1ALDH1A1HPGDRAB9AJAK3
SCHEMBL3701479 0.79 IGF1R (0.42) ALDH1A1HPGDSYKLRRK2
SCHEMBL3705029 0.79 SYK (0.53) NPC1ALDH1A1HPGDJAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 BRD4 1958/4885CREBBP 1045/4885EGFR 1238/4885

“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.