SCHEMBL3038560

SCHEMBL3038560

NC(=O)N(c1ccccc1)c1ncnc2nc[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
CSF1R P07333 1/20 0.60
HTT P42858 7/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
PDPK1 O15530 1/20 0.48
CHEK2 O96017 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
PRKACA P17612 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
RPS6KA3 P51812 1/20 0.48
PRKCD Q05655 1/20 0.48
LRRK2 Q5S007 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
BRD4 O60885 3/20 0.47

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
SCHEMBL3038559 0.80 CSF1R (0.39) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL27605278 0.76 EGFR (0.68) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL27587642 0.76 EGFR (0.68) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL27587640 0.76 EGFR (0.68) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL8675772 0.75 EGFR (0.56) EGFRCSF1RHTTALDH1A1L3MBTL1
Adenine SCHEMBL502575 0.69 LMNA (0.63) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL30544086 0.69 LRRK2 (0.67) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL9222313 0.69 LMNA (0.79) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL6947463 0.68 LRRK2 (0.56) EGFRCSF1RHTTALDH1A1L3MBTL1
SCHEMBL75883 0.68 NPSR1 (0.64) HTTALDH1A1L3MBTL1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749980-B2 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20070123544-A1 Non-nucleotide compositions and method for treating pain INSPIRE PHARMACEUTICALS, INC. 2007-05-31 US disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 EP disclosed
US-5656264-A ADMINISTERING TO THE SCALP OF THE MALE A PREPERATION CONSITING OF 6-BENZYLAMINOPURINE SANSYO SEIYAKU CO., LTD. (JP) 1997-08-12 US disclosed
EP-0540854-A2 Preparation for promoting hair growth Sansho Seiyaku Co., Ltd. (JP) 1993-05-12 EP 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-20070123544-A1 Non-nucleotide compositions and method for treating pain P2RX3, P2RX5, P2RX1 EGFR 3034/4885CSF1R 2269/4885HTT 3454/4885

“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.