SCHEMBL6165020

SCHEMBL6165020

N=C(N)c1ccc2[nH]c(-c3ccc4ccccc4n3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
F2 P00734 11/20 0.60
F10 P00742 10/20 0.60
F7 P08709 3/20 0.60
PLAU P00749 9/20 0.52
PRSS1 P07477 9/20 0.52
PLG P00747 8/20 0.51
PLAT P00750 6/20 0.51
HPN P05981 1/20 0.49
PRSS2 P07478 1/20 0.49

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
Hydrochloric Acid SCHEMBL30882714 0.99 KDM4E (0.59) KDM4ENPC1ALDH1A1TP53PKM
Hydrochloric Acid SCHEMBL23201170 0.99 KDM4E (0.59) KDM4ENPC1ALDH1A1TP53PKM
SCHEMBL23775703 0.87 F2 (0.55) F2F10F7PLAUPRSS1
SCHEMBL23775706 0.86 PLAU (0.51) F2F10F7PLAUPRSS1
SCHEMBL2077857 0.85 F2 (0.60) F2F10F7PLAUPRSS1
SCHEMBL23793907 0.84 F2 (0.83) KDM4ENPC1ALDH1A1TP53PKM
SCHEMBL7410247 0.83 F2 (0.55) F2F10F7PLAUPRSS1
SCHEMBL6162198 0.81 F10 (0.56) F2F10F7PLAUPRSS1
SCHEMBL6161244 0.81 F2 (0.81) KDM4ENPC1TP53PKMHPGD
SCHEMBL7408233 0.81 F2 (0.55) F2F10F7PLAUPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome OMEROS CORPORATION 2021-09-23 US disclosed
WO-2021178902-A1 METHODS OF INHIBITING MASP-2 FOR THE TREATMENT AND/OR PREVENTION OF CORONAVIRUS-INDUCED ACUTE RESPIRATORY DISTRESS SYNDROME OMEROS CORPORATION (US) 2021-09-10 WO disclosed
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 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 (3 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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KDM4E 4128/4885NPC1 2300/4885ALDH1A1 4701/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 KDM4E 4128/4885NPC1 2300/4885ALDH1A1 4701/4885
US-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome MASP2, ACE2, MAS1 KDM4E 1186/4885NPC1 4843/4885ALDH1A1 4482/4885

“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.