SCHEMBL5402330

SCHEMBL5402330

CC#CCOc1ncnc(Cc2ccccc2F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 2/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL5404934 0.77 MRGPRX1 (0.46) MAPTSMN1; SMN2MEN1KMT2AMRGPRX1
SCHEMBL5407132 0.75 TRPA1 (0.36) MAPTSMN1; SMN2DHODHMRGPRX1EDNRA
SCHEMBL5413218 0.74 PDE5A (0.32) P2RX7MAPTPDE5APDE4APDE1A
SCHEMBL5407611 0.74 TRPA1 (0.49) MAPTSMN1; SMN2KMT2AMRGPRX1EDNRA
SCHEMBL5411383 0.73 MEN1 (0.39) TSHRSMN1; SMN2MEN1KMT2AMRGPRX1
SCHEMBL395311 0.73 CHRM3 (0.35)
SCHEMBL6364198 0.73 CHRM3 (0.35)
SCHEMBL5410799 0.70 AR (0.41) ARP2RX7MAPTPDE5APDE4A
SCHEMBL83739 0.70 CHRM3 (0.34)
SCHEMBL5407175 0.70 KMT2A (0.42) LMNASMN1; SMN2MEN1KMT2AMRGPRX1

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-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 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 (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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS AR 2217/4885P2RX7 10/4885MAPT 3844/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD AR 1771/4885P2RX7 47/4885MAPT 3532/4885

“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.