SCHEMBL4064979

SCHEMBL4064979

N#Cc1cnc(N)nc1C(Cl)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.55
ADORA1 P30542 2/20 0.55
EGFR P00533 2/20 0.40
PRKDC P78527 2/20 0.40
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PIN1 Q13526 1/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.35

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
SCHEMBL2872655 0.74 ADORA2A (0.47) ADORA2AADORA1EGFRPRKDCCSNK1A1
SCHEMBL4060970 0.74 CDC7 (0.43) ALDH1A1KDM4EHPGD
SCHEMBL8378083 0.72 P2RX3 (0.42) BCL6
SCHEMBL6034022 0.71 ADORA1 (1.00) ADORA2AADORA1ALDH1A1KDM4EMAPT
SCHEMBL3356613 0.71 CSNK1A1 (0.55) ADORA2AADORA1CSNK1A1CLK4PIN1
SCHEMBL2872507 0.68 ADORA2A (0.56) ADORA2AADORA1ALDH1A1GAAKDM4E
SCHEMBL263835 0.67 CSNK1A1 (0.64) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL1579901 0.64 ADORA2A (0.51) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL14757551 0.64 ADORA2A (0.51) ADORA2AADORA1CSNK1A1CLK4ALDH1A1
SCHEMBL16835396 0.64 KMT2A (0.44) ADORA2AADORA1CSNK1A1CLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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 (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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH ADORA2A 612/4885ADORA1 707/4885EGFR 3665/4885

“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.