SCHEMBL12467607

SCHEMBL12467607

NC(=O)Nc1cccc2cc(C(N)=O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IKBKB O14920 1/20 0.41
MAPK1 P28482 2/20 0.41
APEX1 P27695 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1653374 0.80 KCNMA1 (0.48) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL29609758 0.77 NSD2 (0.60) KDM4EGAANSD2ALDH1A1MEN1
SCHEMBL30310556 0.77 HRH4 (0.56) KDM4EALDH1A1MEN1USP2HPGD
SCHEMBL28399059 0.77 NSD2 (0.60) KDM4EGAANSD2ALDH1A1MEN1
SCHEMBL29063451 0.77 HRH4 (0.56) KDM4EALDH1A1MEN1USP2HPGD
SCHEMBL7942068 0.77 HRH4 (0.57) ALDH1A1MEN1USP2HPGDKMT2A
SCHEMBL30494484 0.76 HPGD (0.46) KDM4ENSD2ALDH1A1MEN1USP2
SCHEMBL28064535 0.76 HPGD (0.46) KDM4ENSD2ALDH1A1MEN1USP2
SCHEMBL2662137 0.76 SLC40A1 (0.54) GAAMEN1KMT2ATDP1
SCHEMBL3626110 0.75 HPGD (0.53) KDM4ENSD2ALDH1A1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618758-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2023-04-04 US disclosed
US-20210032266-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating A Patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2021-02-04 US disclosed
US-10844075-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-11-24 US disclosed
US-10385064-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-08-20 US disclosed
US-20180105536-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-04-19 US disclosed
EP-2670244-B1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT UNIV HOLY GHOST DUQUESNE (US) 2018-04-11 EP disclosed
US-9732090-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-08-15 US disclosed
US-20160009731-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating a Patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-01-14 US disclosed
US-9139590-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2015-09-22 US disclosed
EP-2670244-A2 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT Duquesne University of The Holy Spirit (US) 2013-12-11 EP disclosed
US-20120264768-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2012-10-18 US disclosed
WO-2012106522-A2 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2012-08-09 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 (7 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-20210032266-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating A Patient TK1, UACA, DSTYK KDM4E 4436/4885GAA 3191/4885NSD2 4209/4885
US-11618758-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient TK1, UACA, DSTYK KDM4E 4436/4885GAA 3191/4885NSD2 4209/4885
US-20180105536-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT TK1, UACA, DSTYK KDM4E 4436/4885GAA 3191/4885NSD2 4209/4885
US-20120264768-A1 BICYCLIC AND TRICYCLIC PYRIMIDINE TYROSINE KINASE INHIBITORS WITH ANTITUBULIN ACTIVITY AND METHODS OF TREATING A PATIENT TK1, UACA, DSTYK KDM4E 4436/4885GAA 3191/4885NSD2 4209/4885
US-10385064-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient TK1, UACA, DSTYK KDM4E 4436/4885GAA 3191/4885NSD2 4209/4885
US-10844075-B2 Bicyclic and tricyclic pyrimidine tyrosine kinase inhibitors with antitubulin activity and methods of treating a patient TK1, UACA, DSTYK KDM4E 4436/4885GAA 3191/4885NSD2 4209/4885
US-20160009731-A1 Bicyclic and Tricyclic Pyrimidine Tyrosine Kinase Inhibitors with Antitubulin Activity and Methods of Treating a Patient TK1, UACA, DSTYK KDM4E 4436/4885GAA 3191/4885NSD2 4209/4885

“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.