SCHEMBL6367003

SCHEMBL6367003

O=c1[nH]c(Cc2ccc(C(F)(F)F)c(F)c2)nc2c(-c3cccnc3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ CACNA1H O95180 2/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ PARP1 P09874 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ PIM1 P11309 4/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PDE2A O00408 3/20 0.34
▸ MAP2K4 P45985 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX7 Q99572 1/20 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
SCHEMBL6367719 0.86 CACNA1H (0.39) HCRTR1HCRTR2CACNA1HNTRK1ALDH1A1
SCHEMBL3494974 0.83 AR (0.41) CACNA1HNTRK1ALDH1A1LMNAPOLB
SCHEMBL6368276 0.81 PIM1 (0.39) NTRK1PARP1PIM1DYRK1A
SCHEMBL6372415 0.80 PDE5A (0.52) NTRK1MAP2K4P2RX7
SCHEMBL6372381 0.79 NTRK1 (0.41) NTRK1PARP1PIM1DYRK1AMAP2K4
SCHEMBL3492777 0.76 PDE9A (0.54) ALDH1A1POLBDYRK1AKMT2A
SCHEMBL6371852 0.75 PDE2A (0.39) CACNA1HDAOCACNA1GPDE2A
SCHEMBL3493936 0.75 MEN1 (0.43) PIM1DYRK1AKMT2A
SCHEMBL6371898 0.72 IDO1 (0.40) PIM1DYRK1AMAP2K4
SCHEMBL3493363 0.71 PDE9A (0.55) ALDH1A1POLBKMT2A

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-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 — — US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 — — 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-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCRTR1 2797/4885HCRTR2 1074/4885CACNA1H 4211/4885

“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.

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