SCHEMBL3304633

SCHEMBL3304633

Nc1nc(OCc2ccc(I)s2)c2[nH]cnc2n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGMT P16455 9/20 0.60
CDK1 P06493 10/20 0.60
CCNB1 P14635 10/20 0.60
CCNA2 P20248 10/20 0.60
CDK2 P24941 10/20 0.60
CCNA1 P78396 10/20 0.60
PIN1 Q13526 8/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60

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
Lomeguatrib SCHEMBL4621691 0.75 MGMT (1.00) MGMTCDK1CCNB1CCNA2CDK2
Lomeguatrib SCHEMBL29406067 0.75 MGMT (1.00) MGMTCDK1CCNB1CCNA2CDK2
6-O-Benzylguanine SCHEMBL61740 0.75 PIN1 (1.00) MGMTCDK1CCNB1CCNA2CDK2
6-O-Benzylguanine SCHEMBL31517079 0.75 PIN1 (1.00) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL3300787 0.74 PIN1 (0.76) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL23124359 0.74 MGMT (0.81) MGMTCDK1CCNB1CCNA2CDK2
6-O-Benzylguanine SCHEMBL4631744 0.74 PIN1 (0.97) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL29749175 0.74 MGMT (0.81) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL22224332 0.73 CDK1 (0.64) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL3302326 0.73 PIN1 (1.00) MGMTCDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-10-02 US disclosed
US-8791081-B2 MGMT inhibitor combination for the treatment of neoplastic disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 US disclosed
US-20130236504-A1 Delivery System for Enhancing Drug Efficacy MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 2013-09-12 US disclosed
WO-2013134349-A1 DELIVERY SYSTEMS FOR ENHANCING DRUG EFFICACY CLEMSON UNIVERSITY (US) 2013-09-12 WO disclosed
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS LIU LILI 2010-04-15 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 (2 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-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885CDK1 566/4885CCNB1 569/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885CDK1 566/4885CCNB1 531/4885

“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.