SCHEMBL5019593

SCHEMBL5019593

Cc1nc(-c2ncccn2)nn1Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
GUCY1B2 O75343 4/20 0.42
GUCY1A2 P33402 4/20 0.42
GUCY1A1 Q02108 4/20 0.42
GUCY1B1 Q02153 4/20 0.42
OPRK1 P41145 1/20 0.42
BUB1 O43683 4/20 0.42
PDE5A O76074 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL15627123 0.88 NPC1 (0.49) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019592 0.83 LMNA (0.56) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019596 0.82 ADORA2A (0.48) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019685 0.80 BUB1 (0.42) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019595 0.78 ADORA2A (0.50) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019584 0.78 ADORA2A (0.47) POLBGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL5019583 0.78 ADORA2A (0.50) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019576 0.77 MAPT (0.41) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019645 0.77 GUCY1B2 (0.41) CYP1A2CYP2C19POLBGUCY1B2GUCY1A2
SCHEMBL5019534 0.77 GUCY1B2 (0.59) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
US-20170112845-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-04-27 US disclosed
EP-2637659-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2016-05-18 EP disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-20150250795-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-09-10 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-9061030-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088071-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
WO-2012064559-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-05-18 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 (3 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-20150250795-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 CYP1A2 455/4885CYP2C19 487/4885POLB 2291/4885
US-20140088071-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 CYP1A2 402/4885CYP2C19 446/4885POLB 2223/4885
US-20170112845-A1 sGC STIMULATORS PTGIS, GUCY1B1, GUCY1A1 CYP1A2 455/4885CYP2C19 487/4885POLB 2291/4885

“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.