SCHEMBL1669341

SCHEMBL1669341

Nc1cccnc1NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.45
EGLN2 Q96KS0 1/20 0.44
FTO Q9C0B1 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
BACE1 P56817 1/20 0.39
DHODH Q02127 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL9691928 0.86 ALDH1A1 (0.45) SHMT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4712895 0.80 ALDH1A1 (0.66) EGLN2FTOKDM4EALDH1A1HPGD
SCHEMBL2179962 0.79 DHODH (0.58) KDM4EALDH1A1HPGDHSD17B10NAPRT
SCHEMBL15119425 0.79 EGLN2 (0.44) EGLN2FTOKDM4EALDH1A1HPGD
SCHEMBL1699275 0.79 HPGD (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11263883 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL15156727 0.77 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL5512445 0.77 L3MBTL1 (0.47) EGLN2FTOKDM4EALDH1A1HPGD
SCHEMBL14495656 0.77 EGLN2 (0.42) SHMT2EGLN2FTOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10559703 0.77 GRM5 (0.42) KDM4EALDH1A1HPGDHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627724-A Pyrazole derivative calcium release-activated calcium channel modulators and methods of treating non-small cell lung cancer 理森制药股份公司 2019-12-31 CN disclosed
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2019-08-15 US disclosed
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2019-01-08 US disclosed
EP-2509974-B1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS S A (CH) 2018-04-11 EP disclosed
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2015-10-15 US disclosed
US-8993612-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2015-03-31 US disclosed
EP-2509974-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP disclosed
US-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 US disclosed
WO-2011042798-A1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON- SMALL CELL LUNG CANCER INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 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-20110112058-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 SHMT2 1793/4885EGLN2 4030/4885FTO 4745/4885
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 SHMT2 1793/4885EGLN2 4030/4885FTO 4745/4885
US-20150291588-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 SHMT2 1793/4885EGLN2 4030/4885FTO 4745/4885
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer ORAI1, CACNA1E, CACNB2 SHMT2 1640/4885EGLN2 3989/4885FTO 4717/4885

“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.