SCHEMBL7084414

SCHEMBL7084414

COc1ccccc1CC(C)CNc1ncnc2[nH]ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 5/20 0.51
TTBK2 Q6IQ55 5/20 0.51
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
EGFR P00533 1/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
TNF P01375 1/20 0.45
KMT2A Q03164 1/20 0.45
NOD1 Q9Y239 1/20 0.45
TP53 P04637 1/20 0.45
TNNI3K Q59H18 1/20 0.43
PTK2 Q05397 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL3534019 0.78 TTBK1 (0.49) TTBK1TTBK2
SCHEMBL7084416 0.76 CSF1R (0.48) TTBK1TTBK2
SCHEMBL1819928 0.76 TTBK1 (0.52) TTBK1TTBK2
SCHEMBL7090337 0.71 TTBK1 (0.43) TTBK1TTBK2TNNI3K
SCHEMBL7087720 0.71 TTBK1 (0.55) TTBK1TTBK2EGFR
SCHEMBL5672420 0.71 TTBK1 (0.47) TTBK1TTBK2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL29123839 0.70 CYP1A2 (0.59) TTBK1TTBK2MAPK1ALDH1A1KDM4E
SCHEMBL30598757 0.70 CYP1A2 (0.59) TTBK1TTBK2MAPK1ALDH1A1KDM4E
SCHEMBL18117027 0.69 TTBK1 (0.46) TTBK1TTBK2
SCHEMBL8973291 0.69 HPGD (0.47) SMN1; SMN2ALDH1A1NPSR1TSHRMEN1

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 TTBK1 126/4885TTBK2 242/4885MAPK1 70/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 TTBK1 126/4885TTBK2 242/4885MAPK1 70/4885

“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.