SCHEMBL21378257

SCHEMBL21378257

CCCc1nn(C)c2c(=S)[nH]c(-c3cc(C(=S)N4CCN(C)CC4)ccc3OCC)nc12.CS(=O)(=O)O

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.59
ADRA1A known ✓ P35348 1/20 0.59
PDE5A O76074 18/20 0.59
PDE6C P51160 4/20 0.59
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59
ABCC4 O15439 2/20 0.59
PDE2A O00408 2/20 0.59
PDE9A O76083 2/20 0.59
PDE4A P27815 2/20 0.59
PDE1A P54750 2/20 0.59
PDE11A Q9HCR9 2/20 0.59
PDE10A Q9Y233 2/20 0.59
ABCC5 O15440 1/20 0.59
PDE6D O43924 1/20 0.59
PDE8A O60658 1/20 0.59
ABCB11 O95342 1/20 0.59
CYP3A4 P08684 1/20 0.59
PDE6A P16499 1/20 0.59
PDE6G P18545 1/20 0.59

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
Water SCHEMBL28695299 0.99 PDE5A (0.59) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL20561619 0.95 PDE5A (0.61) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL28412134 0.89 PDE5A (0.60) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL28409225 0.88 PDE5A (0.61) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL21401289 0.84 PDE5A (0.49) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL28485561 0.84 PDE5A (0.49) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL28890961 0.84 KMT2A (0.71) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL28409118 0.84 PDE5A (0.58) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL28417263 0.84 PDE5A (0.58) PDE5APDE6CPDE3BPDE3AABCC4
SCHEMBL6716511 0.83 PDE5A (0.84) PDE5APDE6CPDE3BPDE3AABCC4

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
EP-3553060-B1 POLYCRYSTALLINE MESYLATE OF PHOSPHODIESTERASE TYPE 5 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JINAN MEILUWEI BIOTECHNOLOGY CO LTD (CN) 2020-12-23 EP disclosed
US-10654859-B2 Methanesulfonate polymorph of 5-type phosphodiesterase inhibitor and preparation method and applications thereof Jinan Meiluwei Biotechnology Co., Ltd. (CN) 2020-05-19 US disclosed
EP-3553060-A1 POLYCRYSTALLINE MESYLATE OF PHOSPHODIESTERASE TYPE 5 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Jinan Meiluwei Biotechnology Co., Ltd. (CN) 2019-10-16 EP disclosed
US-20190292192-A1 METHANESULFONATE POLYMORPH OF 5-TYPE PHOSPHODIESTERASE INHIBITOR AND PREPARATION METHOD AND APPLICATIONS THEREOF WANG, Jinglin (CN) 2019-09-26 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-20190292192-A1 METHANESULFONATE POLYMORPH OF 5-TYPE PHOSPHODIESTERASE INHIBITOR AND PREPARATION METHOD AND APPLICATIONS THEREOF PDE5A, PDE3A, PDE9A HTR1A 473/4885ADRA1A 165/4885PDE5A 1/4885
US-10654859-B2 Methanesulfonate polymorph of 5-type phosphodiesterase inhibitor and preparation method and applications thereof PDE5A, PDE3A, PDE9A HTR1A 473/4885ADRA1A 165/4885PDE5A 1/4885

“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.