SCHEMBL7589835

SCHEMBL7589835

CCC(CNc1ncnc2[nH]ccc12)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 7/20 0.57
TTBK2 Q6IQ55 7/20 0.57
AKT2 P31751 2/20 0.44
GSK3B P49841 1/20 0.44
AKT1 P31749 3/20 0.43
ROCK2 O75116 1/20 0.43
KCNH2 Q12809 1/20 0.43
AKT3 Q9Y243 1/20 0.43
RET P07949 1/20 0.41

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
SCHEMBL7087720 0.76 TTBK1 (0.55) TTBK1TTBK2
SCHEMBL1819928 0.76 TTBK1 (0.52) TTBK1TTBK2
SCHEMBL18117027 0.74 TTBK1 (0.46) TTBK1TTBK2
SCHEMBL1899427 0.73 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL7855765 0.72 TTBK1 (0.47) TTBK1TTBK2AKT2GSK3BAKT1
SCHEMBL7090337 0.72 TTBK1 (0.43) TTBK1TTBK2
SCHEMBL7589837 0.72 TTBK1 (0.48) TTBK1TTBK2AKT2GSK3BAKT1
SCHEMBL7855767 0.71 JAK3 (0.41) TTBK1TTBK2AKT2GSK3BAKT1
SCHEMBL16266363 0.71 TTBK1 (0.61) TTBK1TTBK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TTBK1 126/4885TTBK2 242/4885AKT2 731/4885

“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.