SCHEMBL3536147

SCHEMBL3536147

Cc1cc2c(NC3CCCCC3)ncnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
HPGDS O60760 2/20 0.56
CSF1R P07333 2/20 0.51
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 4/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL15405442 0.83 IRAK4 (0.63)
SCHEMBL15425824 0.83 IRAK4 (0.63)
SCHEMBL25638057 0.82 HPGDS (0.56) EGFRHPGDSCSF1RJAK2JAK1
SCHEMBL3532802 0.79 CSF1R (0.50) EGFRCSF1RJAK2JAK1
SCHEMBL7843466 0.79 JAK2 (0.46) EGFRCSF1RJAK2JAK1
SCHEMBL25261399 0.76 CSF1R (0.62) EGFRHPGDSCSF1RJAK2JAK1
SCHEMBL30440679 0.76 CSF1R (0.62) EGFRHPGDSCSF1RJAK2JAK1
SCHEMBL15413226 0.76 CSF1R (0.38) EGFRHPGDSCSF1R
SCHEMBL24312397 0.75 KMT2A (0.43) EGFRKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL21370171 0.75 IRAK4 (0.71) EGFRHPGDSLMNATP53TSHR

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-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 US disclosed
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2005-08-04 US disclosed
US-6890929-B2 Immunosuppressants; lupus, multiple sclerosis, skin disorders, antiarthritic agents, antihistamines, antiulcer agents, Crohn's disease PFIZER, INC. (US) 2005-05-10 US disclosed
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 US disclosed
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 (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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 EGFR 254/4885HPGDS 785/4885CSF1R 334/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 EGFR 255/4885HPGDS 649/4885CSF1R 290/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 EGFR 254/4885HPGDS 785/4885CSF1R 334/4885

“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.