SCHEMBL4082477

SCHEMBL4082477

O=C(Cl)c1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL8541716 0.84 ALDH1A1 (0.38) ALDH1A1TSHRLMNAMAPK1SMN1; SMN2
SCHEMBL2518013 0.79 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMAPK1SMN1; SMN2
SCHEMBL20067788 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL1989330 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRLMNAMAPK1
SCHEMBL9137101 0.76 POLB (0.52) ALDH1A1ALOX15TSHRLMNAMAPK1
Hydrochloric Acid SCHEMBL10581422 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRLMNAMAPK1
SCHEMBL7749289 0.76 SMN1; SMN2 (0.39) ALDH1A1ALOX15TSHRLMNAMAPK1
SCHEMBL9135606 0.76 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRLMNAMAPK1
SCHEMBL3588741 0.74 PPARG (0.41) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL9720942 0.72 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339145-B2 Synthesis of cerdulatinib ALEXION PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210147392-A1 SYNTHESIS OF CERDULATINIB ALEXION PHARMACEUTICALS, INC. 2021-05-20 US disclosed
US-10851087-B2 Synthesis of cerdulatinib PORTOLA PHARMACEUTICALS, INC. (US) 2020-12-01 US disclosed
US-20190337930-A1 SYNTHESIS OF CERDULATINIB ALEXION PHARMACEUTICALS, INC. 2019-11-07 US disclosed
US-7482355-B2 Asthma, antiallergens; rheumatoid arthritis and atherosclerosis; 2-(Benzylthio)-6-{[(1R)-2-hydroxy-1-methylethyl]amino}-4-pyrimidinol ASTRAZENECA AB (SE) 2009-01-27 US disclosed
EP-1539713-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-12-19 EP disclosed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 US disclosed
EP-1539713-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004018435-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2004-03-04 WO disclosed
US-5399674-A Dyestuffs containing pyrimidine-carboxylic acid amide radical having fiber-reactive group, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
US-4191686-A FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4122079-A Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US 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 (5 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-20210147392-A1 SYNTHESIS OF CERDULATINIB JAK2, DCK, CERS2 ALDH1A1 2168/4885ALOX15 1715/4885TSHR 3506/4885
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity CXCR2, CXCR1, ACKR3 ALDH1A1 619/4885ALOX15 1014/4885TSHR 2088/4885
US-20190337930-A1 SYNTHESIS OF CERDULATINIB JAK2, DCK, CERS2 ALDH1A1 2168/4885ALOX15 1715/4885TSHR 3506/4885
US-10851087-B2 Synthesis of cerdulatinib JAK2, DCK, CERS2 ALDH1A1 2168/4885ALOX15 1715/4885TSHR 3506/4885
US-11339145-B2 Synthesis of cerdulatinib JAK2, DCK, CERS2 ALDH1A1 2168/4885ALOX15 1715/4885TSHR 3506/4885

“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.