SCHEMBL3535533

SCHEMBL3535533

N=C(N)Nc1nc2c(s1)CNCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
HDAC2 Q92769 1/20 0.38
TSHR P16473 1/20 0.36
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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 SCHEMBL3538938 0.98 CHKA (0.40) CHKAHDAC2TSHRROCK2ROCK1
SCHEMBL15012213 0.85 CHKA (0.45) CHKAHDAC2TSHRROCK2ROCK1
SCHEMBL330155 0.79 TSHR (0.46) CHKAHDAC2TSHRROCK2ROCK1
Hydrochloric Acid SCHEMBL20764968 0.78 TSHR (0.44) CHKAHDAC2TSHRROCK2ROCK1
SCHEMBL3536095 0.78 TSHR (0.58) TSHRNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL13314772 0.78 TSHR (0.54) TSHRNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL12307415 0.77 TSHR (0.43) CHKAHDAC2TSHRROCK2ROCK1
SCHEMBL13314773 0.76 TSHR (0.56) TSHRNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3537945 0.73 PDK1 (0.47) CHKATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL15240655 0.72 TSHR (0.49) CHKAHDAC2TSHRROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed
EP-0321191-B1 Heterocyclic-substituted quinoline-carboxylic acids PFIZER (US) 1994-11-02 EP disclosed
US-5214051-A Thiazolyl and oxazolyl[5,4-c]piperidyl-substituted quinolone-carboxylic acid and related analogs thereof having antibacterial properties are disclosed PFIZER INC. (US) 1993-05-25 US disclosed
US-5037834-A Heterocycylic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1991-08-06 US disclosed
WO-1989005643-A1 HETEROCYCLIC-SUBSTITUTED QUINOLINE-CARBOXYLIC ACIDS PFIZER INC. (US) 1989-06-29 WO disclosed
EP-0321191-A2 Heterocyclic-substituted quinoline-carboxylic acids PFIZER INC. (US) 1989-06-21 EP disclosed
US-4624956-A Ulcer and gastric secretion inhibiting 4,5,6,7-tetrahydrothiazole[5,4-c]pyridine derivatives FARMITALIA CARLO ERBA (IT) 1986-11-25 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 CHKA 1474/4885HDAC2 2332/4885TSHR 142/4885

“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.