SCHEMBL3050044

SCHEMBL3050044

COc1cc2c(N3CCCC(c4nnc(C5CC5)[nH]4)C3)nncc2c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 2/20 0.39
PDE10A Q9Y233 4/20 0.36
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
BTK Q06187 2/20 0.33

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
SCHEMBL3057844 0.86 PDE10A (0.50) PDE3APDE10AALDH1A1ADRA1DADRA1B
SCHEMBL3052037 0.85 PDE3A (0.39) PDE3APDE10ABTKADRA1A
SCHEMBL3042331 0.85 PRKDC (0.47) PDE3APDE10ATUBB4ATUBBTUBA3C
SCHEMBL3055966 0.84 PDE3A (0.41) PDE3APDE10ABTKPROKR1ALDH1A1
SCHEMBL3057226 0.83 PDE3A (0.58) PDE3APDE10ABTKPROKR1ALDH1A1
SCHEMBL3058176 0.82 PROKR1 (0.50) PDE3APDE10APROKR1
SCHEMBL3056518 0.81 MAP4K4 (0.40) PDE3APDE10ABTKPROKR1ALDH1A1
SCHEMBL3062448 0.81 PDE3A (0.47) PDE3APDE10APROKR1
SCHEMBL3056642 0.80 PDE3A (0.40) PDE3APDE10ABTKALDH1A1LMNA
SCHEMBL3051143 0.80 PDE3A (0.48) PDE3APDE10ABTKPROKR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US claimed
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US disclosed
EP-1981868-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS Pfizer Products Inc. (US) 2008-10-22 EP disclosed
WO-2007085954-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-08-02 WO 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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PDE12, PDE5A, PDE2A PDE3A 5/4885PDE10A 6/4885TUBB4A 2594/4885

“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.