SCHEMBL19748744

SCHEMBL19748744

COc1cc2c(Cc3ccc(F)c(-c4ccc(N)c([N+](=O)[O-])c4)c3)n[nH]c(=O)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
PARP1 P09874 15/20 0.44
PARP2 Q9UGN5 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TPI1 P60174 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL19748800 0.91 PARP1 (0.45) ENPP1PARP1PARP2TUBB4ATUBB
SCHEMBL19747935 0.90 PARP1 (0.43) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30089694 0.90 PARP1 (0.43) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748554 0.89 CYP3A4 (0.52) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30089587 0.89 CYP3A4 (0.52) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19747642 0.88 PARP1 (0.41) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748874 0.88 PARP1 (0.44) ENPP1TSHRPARP1PARP2TUBB4A
SCHEMBL19748244 0.87 PARP1 (0.43) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL19748384 0.87 AR (0.52) ENPP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655130 0.87 AR (0.52) ENPP1CYP3A4CYP2C9TSHRCYP2C19

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
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer ATLASMEDX, INC. (US) 2024-11-19 US disclosed
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2022-12-22 US disclosed
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-10640493-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-05 US disclosed
US-20190352283-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2019-11-21 US disclosed
US-20190337928-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2019-11-07 US disclosed
EP-3475272-A1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER The Regents of The University of California (US) 2019-05-01 EP disclosed
WO-2017223516-A1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-28 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 (6 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-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ENPP1 1493/4885CYP3A4 3102/4885CYP2C9 4189/4885
US-20190337928-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ENPP1 1493/4885CYP3A4 3102/4885CYP2C9 4189/4885
US-10640493-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ENPP1 1334/4885CYP3A4 3698/4885CYP2C9 4661/4885
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ENPP1 1493/4885CYP3A4 3102/4885CYP2C9 4189/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ENPP1 1493/4885CYP3A4 3102/4885CYP2C9 4189/4885
US-20190352283-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ENPP1 1334/4885CYP3A4 3698/4885CYP2C9 4661/4885

“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.