SCHEMBL3483101

SCHEMBL3483101

Cc1cc2cnccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.55
TGFBR1 P36897 10/20 0.43
TGFB2 P61812 1/20 0.39
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36

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
SCHEMBL30711406 0.83 CYP2A6 (0.55) CYP2A6TGFBR1CHEK1AURKADAPK3
SCHEMBL965562 0.83 CYP2A6 (0.55) CYP2A6TGFBR1CHEK1AURKADAPK3
SCHEMBL11071527 0.77 CYP2A6 (0.56) CYP2A6TGFBR1TGFB2CHEK1AURKA
SCHEMBL12689590 0.76 CYP2A6 (0.51) CYP2A6TGFBR1TGFB2CHEK1AURKA
SCHEMBL7113297 0.75 CYP2A6 (0.55) CYP2A6TGFBR1TGFB2CHEK1AURKA
SCHEMBL11643448 0.75 CYP2A6 (0.55) CYP2A6TGFBR1TGFB2CHEK1AURKA
SCHEMBL16023619 0.75 CYP2A6 (0.55) CYP2A6TGFBR1TGFB2CHEK1AURKA
SCHEMBL11070896 0.75 CYP2A6 (0.65) CYP2A6TGFBR1TGFB2CHEK1AURKA
SCHEMBL10677527 0.75 CYP2A6 (0.55) CYP2A6TGFBR1TGFB2CHEK1AURKA
SCHEMBL10653557 0.75 CYP2A6 (0.69) CYP2A6TGFBR1TGFB2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071398-A1 ABHD6 ANTAGONIST 小野薬品工業株式会社 2024-04-04 WO disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
WO-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 WO disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
EP-0327239-A1 1-carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1989-08-09 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4577014-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1986-03-18 US disclosed
US-4501739-A BACTERICIDES, ANTIBIOTICS ELI LILLY AND COMPANY (US) 1985-02-26 US disclosed
US-4480098-A Preparation of alkali metal thieno(furo)pyridines ELI LILLY AND COMPANY (US) 1984-10-30 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-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 CYP2A6 1269/4885TGFBR1 3045/4885TGFB2 3043/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 CYP2A6 4239/4885TGFBR1 2175/4885TGFB2 3220/4885

“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.