SCHEMBL6846871

SCHEMBL6846871

O=C(NCc1ccncc1)c1cccc(CSc2ncnc3[nH]ncc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PARP1 P09874 1/20 0.44
MAPK1 P28482 3/20 0.43
MAPK3 P27361 2/20 0.43
PSMD14 O00487 1/20 0.43
STAMBP O95630 1/20 0.43
COPS5 Q92905 1/20 0.43
ROCK2 O75116 10/20 0.42
GRK2 P25098 5/20 0.42
PRKCA P17252 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
DHFR P00374 1/20 0.41
ROCK1 Q13464 2/20 0.41
GRK5 P34947 1/20 0.41
GRK3 P35626 1/20 0.41
GRK7 Q8WTQ7 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL6846603 0.84 SLC29A1 (0.47) PARP1MAPK1ROCK2ALDH1A1MAPT
SCHEMBL6844806 0.82 GAA (0.50) MAPK1ROCK2GRK2PRKCAALDH1A1
SCHEMBL7229294 0.81 ALDH1A1 (0.43) LMNAPARP1MAPK1ROCK2ALDH1A1
SCHEMBL6846844 0.79 MAPT (0.47) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL6845380 0.78 ALDH1A1 (0.49) MAPK1ALDH1A1MAPTPOLBRAB9A
SCHEMBL7592061 0.78 ALDH1A1 (0.48) MAPK1ROCK2ALDH1A1MAPTROCK1
SCHEMBL6846677 0.77 ALDH1A1 (0.48) LMNAPARP1MAPK1ALDH1A1MAPT
SCHEMBL6846651 0.77 ALDH1A1 (0.48) LMNAPARP1MAPK1ALDH1A1MAPT
SCHEMBL6846427 0.77 NPC1 (0.50) LMNATSHRMAPK1ALDH1A1MAPT
SCHEMBL6841325 0.77 FLT3 (0.50) MAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA LMNA 4001/4885TSHR 2259/4885PARP1 2139/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA LMNA 4001/4885TSHR 2259/4885PARP1 2139/4885

“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.