SCHEMBL22607155

SCHEMBL22607155

Nc1c(-c2cccc3ccccc23)c2ccccc2c2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.39
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ LIMK1 P53667 3/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TERT O14746 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
SCHEMBL22607224 0.88 DHFR (0.39) DHFRTNKSTNKS2LIMK1CDK5
SCHEMBL17697068 0.78 L3MBTL1 (0.42) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL12425537 0.78 ALOX5 (0.40) TNKSTNKS2LIMK1ALOX5PTPN1
SCHEMBL17945214 0.77 GPR3 (0.41) DHFRALDH1A1HPGDTSHRHSD17B10
SCHEMBL24341485 0.77 ALOX5 (0.42) TNKSTNKS2ALOX5PTPN1ALDH1A1
SCHEMBL20650700 0.76 GPR3 (0.43) DHFRTGFBR1PTPN1ALDH1A1HPGD
SCHEMBL124825 0.76 ALOX5 (0.49) DHFRALOX5MEN1MAPTRAB9A
SCHEMBL17943954 0.76 ALOX5 (0.45) DHFRALOX5ALDH1A1HPGDMEN1
SCHEMBL19628157 0.76 NQO1 (0.36) DHFRTNKSTNKS2ALOX5PTPN1
SCHEMBL12425547 0.76 ALOX5 (0.39) TNKSTNKS2LIMK1ALOX5PTPN1

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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 — — US disclosed
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 — — US disclosed
US-20200343455-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof NINGBO LUMILAN ADVANCED MATERIALS, CO., LTD. (CN) 2020-10-29 — — 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 (2 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-11706982-B2 Fused polycyclic compound, and preparation method and use thereof INF2, INTS9, PYM1 DHFR 349/4885TNKS 2686/4885TNKS2 2754/4885
US-20200343455-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof INF2, INTS9, PYM1 DHFR 349/4885TNKS 2686/4885TNKS2 2754/4885

“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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