SCHEMBL7206944

SCHEMBL7206944

CCc1nc(NC2CCc3ccccc3C2)c2cc[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
GBA1 P04062 4/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
PAK4 O96013 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRIN2B Q13224 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8929835 0.77 HPGDS (0.63) IRAK4GRIN2BJAK1JAK3
Hydrochloric Acid SCHEMBL8929253 0.76 HPGDS (0.61) IRAK4GRIN2BJAK1JAK3
SCHEMBL24174684 0.70 JAK2 (0.37) ADORA1ADORA2APAK4JAK2JAK1
SCHEMBL6642228 0.67 HPGDS (0.67) IRAK4GRIN2BJAK3
SCHEMBL30748993 0.67 HPGDS (0.55) ADORA1ADORA3ADORA2AADORA2BPAK4
SCHEMBL30914296 0.66 DYRK1A (0.42) ADORA1ADORA2APAK4JAK2JAK1
SCHEMBL19010669 0.64 PDPK1 (0.46) ADORA1ADORA3ADORA2AADORA2BGBA1
SCHEMBL19010664 0.64 PDPK1 (0.46) ADORA1ADORA3ADORA2AADORA2BGBA1
SCHEMBL19010660 0.64 PDPK1 (0.46) ADORA1ADORA3ADORA2AADORA2BGBA1
SCHEMBL10293234 0.64 MAOA (0.68) MTNR1AMTNR1BMAOAMAOBGRIN2B

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-6610847-B2 Tyrosine kinase inhibitors; immunosuppressants PFIZER INC. 2003-08-26 US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 ADORA1 898/4885ADORA3 696/4885ADORA2A 1598/4885

“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.