SCHEMBL25937317

SCHEMBL25937317

O=c1[nH]ncc2ccc(N3CCCCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.53
▸ IP6K1 Q92551 2/20 0.51
▸ IP6K3 Q96PC2 1/20 0.49
▸ TERT O14746 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ SYK P43405 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL30469212 0.78 TERT (0.53) HSD17B10TERTALDH1A1PARP1TDP1
SCHEMBL30985228 0.78 SYK (0.38) HSD17B10IP6K1ALDH1A1POLBPARP1
SCHEMBL25141632 0.76 MAPT (0.48) ALDH1A1PARP1MEN1MAPTKMT2A
SCHEMBL30905935 0.75 HTR3E (0.49) HSD17B10ALDH1A1PARP1PRKCIPDE4B
SCHEMBL30544684 0.74 PIK3CD (0.53) HSD17B10ALDH1A1PARP1PRKCIPDE4B
SCHEMBL30544687 0.74 POLB (0.49) HSD17B10ALDH1A1POLBPARP1PRKCI
SCHEMBL30984852 0.74 JAK2 (0.35) HSD17B10ALDH1A1POLBPARP1PRKCI
SCHEMBL30385421 0.73 NOS1 (0.49) HSD17B10TERTALDH1A1PARP1TDP1
SCHEMBL15515501 0.73 CYP3A4 (0.58) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL29039315 0.73 NOS1 (0.49) HSD17B10TERTALDH1A1PARP1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof GENENTECH, INC. (US) 2023-09-26 — — US disclosed
US-20230242510-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO LTD (CN) 2023-08-03 — — US disclosed
US-20230131252-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 — — 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 (3 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-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof CYP17A1, AR, NR5A1 HSD17B10 150/4885IP6K1 2439/4885IP6K3 2672/4885
US-20230131252-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP17A1, AR, NR5A1 HSD17B10 150/4885IP6K1 2439/4885IP6K3 2672/4885
US-20230242510-A1 PHTHALAZINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP17A1, AR, NR5A1 HSD17B10 150/4885IP6K1 2439/4885IP6K3 2672/4885

“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.

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