SCHEMBL14090240

SCHEMBL14090240

Oc1ccc(-c2cccnc2Cl)cc1-c1nc2ncccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 9/20 0.64
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ AURKA O14965 4/20 0.49
▸ GUSB P08236 3/20 0.49
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ HPSE Q9Y251 1/20 0.45
▸ METAP2 P50579 1/20 0.44
▸ METAP1 P53582 1/20 0.44
▸ PDE2A O00408 1/20 0.44

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
SCHEMBL14090380 0.88 PDE5A (0.67) PDE5AAURKAGUSBPDE4APDE4B
SCHEMBL14090223 0.84 PDE5A (0.59) PDE5AAURKAGUSBPDE4APDE4B
SCHEMBL14090248 0.84 PDE5A (0.68) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL14090214 0.82 PDE5A (0.63) PDE5AAURKAGUSBHPSEMETAP2
SCHEMBL14090228 0.82 PDE5A (0.60) PDE5AMEN1KMT2AAURKAPDE4A
SCHEMBL14090269 0.81 PDE5A (0.57) PDE5AAURKAGUSBPDE4APDE4B
SCHEMBL14090254 0.81 WNT1 (0.61) PDE5ANPC1RAB9AAURKAGUSB
SCHEMBL14090208 0.79 AURKA (0.69) PDE5AAURKAPDE2A
SCHEMBL7430084 0.79 PDE5A (1.00) PDE5AAURKAPDE4APDE4BPDE4C
SCHEMBL14091566 0.78 NPC1 (0.55) PDE5AMEN1NPC1RAB9AKMT2A

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 PDE5A 2213/4885MEN1 1879/4885NPC1 2983/4885

“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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