SCHEMBL7084416

SCHEMBL7084416

COc1ccccc1CC(C)N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.48
JAK3 P52333 14/20 0.44
JAK1 P23458 12/20 0.44
JAK2 O60674 9/20 0.44
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
TYK2 P29597 7/20 0.41
LRRK2 Q5S007 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL3534021 0.77 CSF1R (0.53) CSF1RJAK3JAK1JAK2TYK2
SCHEMBL7084414 0.76 TTBK1 (0.51) TTBK1TTBK2
SCHEMBL3578039 0.72 CSF1R (0.58) CSF1RJAK3JAK1JAK2TTBK1
SCHEMBL3578042 0.72 CSF1R (0.58) CSF1RJAK3JAK1JAK2TTBK1
SCHEMBL7090338 0.71 CSF1R (0.47) CSF1RJAK3JAK1JAK2TYK2
SCHEMBL3532806 0.71 CSF1R (0.56) CSF1RJAK3JAK1JAK2TYK2
SCHEMBL7087723 0.70 TTBK1 (0.46) CSF1RJAK3JAK1JAK2TTBK1
SCHEMBL20792859 0.70 CSF1R (0.51) CSF1RJAK3JAK1JAK2TYK2
SCHEMBL22877394 0.70 CSF1R (0.51) CSF1RJAK3JAK1JAK2TYK2
SCHEMBL5470903 0.69 HTR2A (0.54)

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-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 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 (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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 CSF1R 334/4885JAK3 2/4885JAK1 1/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 CSF1R 334/4885JAK3 2/4885JAK1 1/4885

“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.