SCHEMBL3288133

SCHEMBL3288133

CC(C)c1cnc(Nc2ccc(C(=O)O)cc2)nc1NCCCN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 11/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
BTK Q06187 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ADORA1 P30542 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
PTK2 Q05397 1/20 0.43
PGK1 P00558 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL1917113 0.93 TYRO3 (0.45) TYRO3SMN1; SMN2BTKALDH1A1TSHR
SCHEMBL3285506 0.86 PGK1 (0.52) TYRO3SMN1; SMN2BTKALDH1A1PTK2
SCHEMBL1917442 0.86 TYRO3 (0.48) TYRO3SMN1; SMN2BTKALDH1A1TSHR
SCHEMBL1917254 0.86 AXL (0.48) TYRO3SMN1; SMN2BTKALDH1A1TSHR
SCHEMBL1917416 0.85 AXL (0.43) TYRO3SMN1; SMN2ALDH1A1IRAK4PGK1
SCHEMBL3290772 0.85 CHEK1 (0.58) TYRO3PTK2
SCHEMBL1917063 0.85 STK17A (0.50) TYRO3SMN1; SMN2ALDH1A1IRAK4PGK1
SCHEMBL3291122 0.84 GSK3B (0.58) TYRO3BTKALDH1A1TSHRPTK2
SCHEMBL1917661 0.80 SYK (0.45) TYRO3SMN1; SMN2BTKALDH1A1TSHR
SCHEMBL1917339 0.80 STK17A (0.51) TYRO3SMN1; SMN2BTKALDH1A1PGK1

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-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 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 (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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD TYRO3 2650/4885SMN1; SMN2 1172/4885BTK 1269/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR TYRO3 967/4885SMN1; SMN2 907/4885BTK 442/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD TYRO3 2650/4885SMN1; SMN2 1172/4885BTK 1269/4885

“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.