SCHEMBL3302002

SCHEMBL3302002

Fc1nc(NCc2cccnc2)c2nc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
PABPC1 P11940 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 4/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
LTA4H P09960 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
VNN1 O95497 2/20 0.42
CYP2D6 P10635 4/20 0.42
PDE5A O76074 1/20 0.42

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
SCHEMBL5997041 0.85 CDK1 (0.48) MEN1KMT2ALMNACYP1A2PDE4A
SCHEMBL13601281 0.85 ALDH1A1 (0.47) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL3852234 0.85 KDM4C (0.49) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3304345 0.84 KCNH3 (0.39) MAPTSMN1; SMN2LMNAHTTCYP1A2
SCHEMBL3302949 0.82 PDE10A (0.42) MAPTCYP3A4VNN1HDAC1HDAC6
SCHEMBL3302007 0.81 CDK1 (0.54) MEN1KMT2AMAPTPABPC1SMN1; SMN2
SCHEMBL3298944 0.81 AURKA (0.56) KDM4CCLK4
SCHEMBL17017484 0.81 KDM4C (0.59) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL30850661 0.81 KDM4C (0.59) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL17443005 0.80 MAP2K4 (0.43) MEN1KMT2AMAPTLMNAHTT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 US disclosed
US-10519160-B2 Imaging agents for neural flux THE GENERAL HOSPITAL CORPORATION (US) 2019-12-31 US disclosed
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX UNITED STATES DEPARTMENT OF ENERGY 2018-09-13 US disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 WO disclosed
WO-2016011394-A1 IMAGING AGENTS FOR NEURAL FLUX THE GENERAL HOSPITAL CORPORATION (US) 2016-01-21 WO disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-8846696-B2 Purine derivatives CYCLACEL LIMITED (GB) 2014-09-30 US disclosed
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
US-20090325983-A1 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-12-31 US disclosed
US-20090325983-A1 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-12-31 US disclosed
US-20090325983-A1 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-12-31 US disclosed
US-7582642-B2 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
US-7582642-B2 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
US-7582642-B2 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors CYCLACEL LIMITED (GB) 2009-09-01 US disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
EP-1529047-B1 NEW PURINE DERIVATIVES CYCLACEL LTD (GB) 2007-02-21 EP disclosed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP disclosed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 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-20090325983-A1 NEW PURINE DERIVATIVES C5, CYC1, CCNH MEN1 882/4885KMT2A 3751/4885MAPT 3329/4885
US-10519160-B2 Imaging agents for neural flux SLC18A2, SLC18A3, PMP22 MEN1 417/4885KMT2A 4686/4885MAPT 186/4885
US-20180258090-A1 IMAGING AGENTS FOR NEURAL FLUX SLC18A2, SLC18A3, PMP22 MEN1 417/4885KMT2A 4686/4885MAPT 186/4885

“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.