SCHEMBL14025520

SCHEMBL14025520

O=S(=O)(c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1)N1CCc2cccnc2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.40
STS P08842 3/20 0.39
ESR1 P03372 2/20 0.38
CXCR4 P61073 2/20 0.38
KCNA5 P22460 1/20 0.38
NAMPT P43490 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RORC P51449 1/20 0.35
CXCR3 P49682 1/20 0.35
AKR1C3 P42330 2/20 0.35
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 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
SCHEMBL14025521 0.94 HTR2B (0.42) HTR2BCXCR4NAMPTMEN1KMT2A
SCHEMBL14025484 0.93 MEN1 (0.45) HTR2BSTSESR1CXCR4NAMPT
SCHEMBL14025714 0.91 AKR1C3 (0.36) HTR2BSTSESR1CXCR4NAMPT
SCHEMBL14025514 0.88 HTR2B (0.42) HTR2BSTSESR1CXCR4KCNA5
SCHEMBL14025489 0.86 KMT2A (0.51) HTR2BNAMPTMEN1KMT2AAKR1C3
SCHEMBL14025716 0.84 AKR1C3 (0.38) HTR2BNAMPTMEN1KMT2AAKR1C3
SCHEMBL14025671 0.84 AKR1C3 (0.43) STSMEN1KMT2ARORCAKR1C3
SCHEMBL14025476 0.83 KMT2A (0.54) STSESR1KCNA5NAMPTMEN1
SCHEMBL14025525 0.81 HTR2B (0.47) HTR2BCXCR4NAMPTMEN1KMT2A
SCHEMBL14025696 0.79 KMT2A (0.38) HTR2BSTSCXCR4KMT2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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 (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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A HTR2B 4516/4885STS 4446/4885ESR1 2391/4885

“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.