SCHEMBL6677663

SCHEMBL6677663

Oc1ccc(NCc2ccccc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 1.00
CHEK1 O14757 1/20 0.51
PIM1 P11309 1/20 0.51
LTK P29376 1/20 0.51
LIMK1 P53667 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
RPS6KB1 P23443 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CDC25B P30305 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46

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
SCHEMBL11399599 0.91 IDO1 (0.83) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6541555 0.82 IDO1 (0.69) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL31006473 0.82 IDO1 (0.69) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL11511910 0.79 IDO1 (0.66) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL12599061 0.77 IDO1 (1.00) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL9750717 0.76 IDO1 (0.61) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL268673 0.76 KDM4E (0.78) IDO1KDM4EMEN1ALDH1A1MAPT
SCHEMBL12086889 0.76 IDO1 (0.61) IDO1CHEK1PIM1LTKLIMK1
Hydrochloric Acid SCHEMBL6266755 0.75 KDM4E (0.75) IDO1KDM4EMEN1ALDH1A1MAPT
Bromide SCHEMBL10436174 0.75 KDM4E (0.75) IDO1KDM4EMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF WAYNE STATE UNIVERSITY 2014-08-21 US disclosed
US-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. 2011-05-12 US disclosed
US-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. 2011-05-12 US disclosed
EP-1248603-B1 USE OF PARTICULAR COMPOUNDS FOR PROPHYLAXIS AND TREATMENT OF HEPATITIS C MORPHOCHEM AG (DE) 2004-10-13 EP disclosed
US-20030153594-A1 Use of particular compounds for prophylaxis and treatment of hepatitis c MORPHOCHEM AG (DE) 2003-08-14 US disclosed
EP-1248603-A2 USE OF PARTICULAR COMPOUNDS FOR PROPHYLAXIS AND TREATMENT OF HEPATITIS C Morphochem AG (DE) 2002-10-16 EP disclosed
WO-2001052824-A2 USE OF PARTICULAR COMPOUNDS FOR PROPHYLAXIS AND TREATMENT OF HEPATITIS C MORPHOCHEM AG (DE) 2001-07-26 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-20030153594-A1 Use of particular compounds for prophylaxis and treatment of hepatitis c HAVCR2, CBR1, HCCS IDO1 646/4885CHEK1 1183/4885PIM1 4718/4885
US-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF IDO1, IDO2, IDH3B IDO1 1/4885CHEK1 3523/4885PIM1 1831/4885
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF MCL1, BCL2L1, BCL2L11 IDO1 2378/4885CHEK1 1119/4885PIM1 4/4885

“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.