SCHEMBL19747590

SCHEMBL19747590

COc1cc(F)c(Cc2n[nH]c(=O)c3ccccc23)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.65
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
ENPP1 P22413 1/20 0.51
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PARP1 P09874 2/20 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
SCHEMBL29655014 1.00 AR (0.65) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL21528308 0.92 AR (0.66) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655072 0.92 AR (0.66) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748386 0.90 AR (0.69) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655146 0.90 AR (0.69) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748393 0.87 AR (0.68) ARENPP1LMNAHTTNPSR1
SCHEMBL29655150 0.87 AR (0.68) ARENPP1LMNAHTTNPSR1
SCHEMBL19748220 0.81 AR (0.55) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655186 0.80 AR (0.73) ARCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748634 0.80 AR (0.73) ARCYP3A4CYP2C9TSHRCYP2C19

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 10 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
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN 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 AR 2031/4885CYP3A4 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 AR 2031/4885CYP3A4 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 AR 1326/4885CYP3A4 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 AR 2031/4885CYP3A4 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 AR 2031/4885CYP3A4 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 AR 1326/4885CYP3A4 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.