SCHEMBL1713573

SCHEMBL1713573

Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 1/20 0.61
HPGD P15428 1/20 0.58
TYMS P04818 1/20 0.52
PARN O95453 1/20 0.48
CNOT7 Q9UIV1 1/20 0.48
BRD4 O60885 1/20 0.47

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
Hydrochloric Acid SCHEMBL5718893 0.99 PNP (0.63) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL7773119 0.99 PNP (0.63) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL7111111 0.92 PNP (0.56) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL7114730 0.91 PNP (0.55) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL16028279 0.88 TYMS (0.53) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL27746499 0.87 PNP (0.55) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL7111737 0.86 PNP (0.49) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL6258586 0.85 PNP (0.48) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL7988094 0.84 SMN1; SMN2 (0.60) PNPSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL7974022 0.84 SMN1; SMN2 (0.62) PNPSMN1; SMN2ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 EP disclosed
EP-4233871-A2 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Eli Lilly and Company (US) 2023-08-30 EP disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 EP disclosed
US-5831092-A Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 1998-11-03 US disclosed
EP-0827960-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1998-03-11 EP disclosed
EP-0523100-B1 O6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1996-08-28 EP disclosed
EP-0728757-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1996-08-28 EP disclosed
US-5358952-A Anticarcinogenic agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-10-25 US disclosed
US-5352669-A Increases host responsiveness to anti-neoplastic alkylating agents including chloroethylating agents for chemotheraputical treatment THE OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-10-04 US disclosed
EP-0523100-A4 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1993-03-17 EP disclosed
EP-0523100-A1 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY. US HEALTH (US) 1993-01-20 EP disclosed
US-5091430-A Increase response to antitumor agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-02-25 US disclosed
WO-1991013898-A1 O6-BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-09-19 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 (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-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PNP 762/4885SMN1; SMN2 1307/4885ALDH1A1 1647/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PNP 762/4885SMN1; SMN2 1307/4885ALDH1A1 1647/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PNP 762/4885SMN1; SMN2 1307/4885ALDH1A1 1647/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PNP 762/4885SMN1; SMN2 1307/4885ALDH1A1 1647/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 PNP 1305/4885SMN1; SMN2 1473/4885ALDH1A1 962/4885

“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.