SCHEMBL3856980

SCHEMBL3856980

CC[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.47
LMNA P02545 4/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CNR1 P21554 1/20 0.38
ADRA1A P35348 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCC3 O15438 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.36
TRPA1 O75762 3/20 0.36

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
SCHEMBL3302423 1.00 KCNN4 (0.47) KCNN4LMNAPOLBKDM4ECNR1
SCHEMBL3302429 1.00 KCNN4 (0.47) KCNN4LMNAPOLBKDM4ECNR1
SCHEMBL7479981 0.88 KCNN4 (0.43) KCNN4LMNAKDM4EMEN1ALDH1A1
SCHEMBL7317772 0.82 TRPA1 (0.41) KCNN4LMNAADRA1AALDH1A1KIF11
SCHEMBL7312975 0.82 TRPA1 (0.41) KCNN4LMNAADRA1AALDH1A1KIF11
SCHEMBL8945088 0.82 KCNN4 (0.40) KCNN4ALDH1A1KIF11TRPA1
SCHEMBL8945099 0.82 KCNN4 (0.40) KCNN4ALDH1A1KIF11TRPA1
SCHEMBL10029077 0.82 KCNN4 (0.44) KCNN4MEN1KMT2AKIF11TRPA1
SCHEMBL2490293 0.81 KCNN4 (0.38) KCNN4KDM4ECNR1MEN1ALDH1A1
SCHEMBL569600 0.81 KIF11 (0.44) KCNN4LMNAKDM4EKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7612079-B2 2,6,9-substituted purine derivatives and their use in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-11-03 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
US-20090270427-A1 PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2009-10-29 US disclosed
EP-1534708-B1 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LTD (GB) 2006-04-26 EP disclosed
US-20050256142-A1 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 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-11-17 US disclosed
EP-1399446-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LTD (GB) 2005-08-03 EP disclosed
EP-1534708-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Cyclacel Limited (GB) 2005-06-01 EP disclosed
EP-1529047-A2 NEW PURINE DERIVATIVES Cyclacel Limited (GB) 2005-05-11 EP disclosed
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-01-13 US disclosed
EP-1399446-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2004-03-24 EP disclosed
WO-2004016612-A2 NEW PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2004-02-26 WO disclosed
WO-2004016613-A2 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LIMITED (GB) 2004-02-26 WO disclosed
WO-2003002565-A1 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2003-01-09 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 (4 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 KCNN4 3059/4885LMNA 3436/4885POLB 368/4885
US-20050256142-A1 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 CDK1, CDK2, CCND1 KCNN4 2699/4885LMNA 3707/4885POLB 453/4885
US-20050009846-A1 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders TYMP, PNP, IMPDH1 KCNN4 2783/4885LMNA 1860/4885POLB 188/4885
US-20090270427-A1 PURINE DERIVATIVES C5, CYC1, CCNH KCNN4 2947/4885LMNA 3401/4885POLB 434/4885

“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.