SCHEMBL3976909

SCHEMBL3976909

N#Cc1ccc(C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
CA1 P00915 2/20 0.53
MLYCD O95822 2/20 0.49
GSK3B P49841 2/20 0.48
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 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
SCHEMBL7887114 0.80 CA2 (0.53) CA2CA1MLYCDGSK3BPARP15
SCHEMBL27152949 0.78 GSK3B (0.44) CA2CA1MLYCDGSK3BPARP15
SCHEMBL7368558 0.78 MLYCD (0.73) CA2CA1MLYCDGSK3BPARP15
Water SCHEMBL733811 0.76 CES1 (0.56) CA2CA1KMT2AMEN1ALDH1A1
Water SCHEMBL27561426 0.76 CES1 (0.56) CA2CA1KMT2AMEN1ALDH1A1
Water SCHEMBL19283519 0.76 CES1 (0.56) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL216706 0.76 CA2 (0.64) CA2CA1GSK3BPARP15PARP10
Water SCHEMBL18124365 0.76 CES1 (0.56) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL1225921 0.76 CA2 (0.53) CA2CA1MLYCDGSK3BPARP15
SCHEMBL10940932 0.76 CA1 (0.48) CA2CA1MLYCDGSK3BPARP15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935748-B1 HYBRID ORGANIC-INORGANIC SEMICONDUCTOR STRUCTURES AND SENSORS BASED THEREON YEDA RES & DEV (IL) 2003-10-29 EP claimed
US-6433356-B1 Hybrid organic-inorganic semiconductor structures and sensors based thereon YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2002-08-13 US claimed
EP-0935748-A1 HYBRID ORGANIC-INORGANIC SEMICONDUCTOR STRUCTURES AND SENSORS BASED THEREON YEDA RESEARCH & DEVELOPMENT COMPANY, LTD. (IL) 1999-08-18 EP claimed
WO-1998019151-A1 HYBRID ORGANIC-INORGANIC SEMICONDUCTOR STRUCTURES AND SENSORS BASED THEREON YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1998-05-07 WO claimed
CN-116715663-A Preparation method of non-neridrone and intermediate thereof 奥锐特药业股份有限公司 2023-09-08 CN disclosed
EP-3473625-B1 PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-06-02 EP disclosed
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US disclosed
US-20190211021-A1 Preparation Method For Chiral Pyrrolopyrimidine Compound CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-07-11 US disclosed
EP-3473625-A1 PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-04-24 EP disclosed
US-20090224820-A1 MOLECULAR CONTROLLED SEMICONDUCTOR DEVICE YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2009-09-10 US disclosed
US-7488991-B2 Molecular controlled semiconductor device YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2009-02-10 US disclosed
US-7118861-B1 DNA detector based on molecular controlled semiconductor resistor YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2006-10-10 US disclosed
US-20060118903-A1 Molecular controlled semiconductor device YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-06-08 US disclosed
EP-1425411-A4 DNA DETECTOR BASED ON MOLECULAR CONTROLLED SEMICONDUCTOR RESISTOR YEDA RES & DEV (IL) 2004-06-23 EP disclosed
EP-1425411-A2 DNA DETECTOR BASED ON MOLECULAR CONTROLLED SEMICONDUCTOR RESISTOR YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2004-06-09 EP disclosed
EP-0935748-B1 HYBRID ORGANIC-INORGANIC SEMICONDUCTOR STRUCTURES AND SENSORS BASED THEREON YEDA RES & DEV (IL) 2003-10-29 EP disclosed
US-6433356-B1 Hybrid organic-inorganic semiconductor structures and sensors based thereon YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2002-08-13 US disclosed
WO-2000075276-A2 DNA DETECTOR BASED ON MOLECULAR CONTROLLED SEMICONDUCTOR RESISTOR YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 WO disclosed
EP-0935748-A1 HYBRID ORGANIC-INORGANIC SEMICONDUCTOR STRUCTURES AND SENSORS BASED THEREON YEDA RESEARCH & DEVELOPMENT COMPANY, LTD. (IL) 1999-08-18 EP disclosed
WO-1998019151-A1 HYBRID ORGANIC-INORGANIC SEMICONDUCTOR STRUCTURES AND SENSORS BASED THEREON YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1998-05-07 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 (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-20190211021-A1 Preparation Method For Chiral Pyrrolopyrimidine Compound DHPS, DPYD, MPHOSPH6 CA2 1403/4885CA1 1842/4885MLYCD 3558/4885
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound DHPS, DPYD, MPHOSPH6 CA2 1403/4885CA1 1842/4885MLYCD 3558/4885

“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.