SCHEMBL15905283

SCHEMBL15905283

O=C(O)c1ccc(Nc2nc(NCc3ccc(Cl)cc3)nc(OCC(F)(F)F)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CFTR P13569 2/20 0.49
HPGD P15428 1/20 0.47
RORC P51449 5/20 0.46
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
VNN1 O95497 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
KCNH3 Q9ULD8 2/20 0.43

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
SCHEMBL1554638 0.95 MEN1 (0.55) PTK2MEN1KMT2ALMNATDP1
SCHEMBL15905303 0.92 PTK2 (0.51) PTK2MEN1KMT2ALMNATDP1
SCHEMBL1554572 0.91 MEN1 (0.51) PTK2MEN1KMT2ALMNATDP1
SCHEMBL15918834 0.90 PTK2 (0.52) PTK2MEN1KMT2ALMNATDP1
SCHEMBL1554621 0.87 MEN1 (0.47) PTK2MEN1KMT2ALMNATDP1
SCHEMBL1555631 0.87 L3MBTL1 (0.64) MEN1KMT2ALMNATDP1L3MBTL1
SCHEMBL2124834 0.85 MEN1 (0.46) PTK2MEN1KMT2ALMNATDP1
SCHEMBL15647358 0.85 CFTR (0.44) PTK2MEN1KMT2ALMNATDP1
SCHEMBL2123078 0.85 CFTR (0.45) PTK2MEN1KMT2ALMNATDP1
SCHEMBL1555624 0.85 CFTR (0.45) PTK2MEN1KMT2ALMNATDP1

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-9655902-B2 Guanidine derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9655902-B2 Guanidine derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9655902-B2 Guanidine derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
EP-2948445-B1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-17 EP disclosed
EP-2948445-B1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-17 EP disclosed
EP-2948445-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2015-12-02 EP disclosed
US-20150320757-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
US-20150320757-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
US-20150320757-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
WO-2014116768-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-31 WO disclosed
WO-2014116768-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-31 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-20150320757-A1 GUANIDINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C GMPS, GANC, GUCY1A1 PTK2 4874/4885MEN1 4734/4885KMT2A 4224/4885

“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.