SCHEMBL5413458

SCHEMBL5413458

c1cc2ccc(N3CCOCC3)nc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.50
PIK3R1 P27986 1/20 0.50
GAA P10253 2/20 0.48
JAK3 P52333 1/20 0.48
ATR Q13535 2/20 0.43
ATRIP Q8WXE1 1/20 0.43
MTOR P42345 3/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
HTT P42858 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
PIK3CG P48736 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL16417015 0.84 JAK3 (0.44) JAK3HTTPARP1PARP2KDM4E
SCHEMBL4975825 0.83 JAK3 (0.45) JAK3HTTPARP1PARP2KDM4E
SCHEMBL16417007 0.83 JAK3 (0.45) JAK3HTTPARP1PARP2KDM4E
SCHEMBL3254758 0.81 HTR3E (0.54) HTTKDM4E
SCHEMBL16417018 0.80 HTR3A (0.53) PARP1PARP2KDM4E
SCHEMBL942469 0.78 PIK3CB (0.51) PIK3CAPIK3R1GAAJAK3HTT
SCHEMBL16835984 0.78 PIK3CA (0.48) PIK3CAPIK3R1JAK3ATRATRIP
SCHEMBL22576043 0.75 TP53 (0.45) PIK3CAPIK3R1GAAJAK3ATR
SCHEMBL24584355 0.75 ATR (0.50) ATRATRIPMTOR
SCHEMBL26627125 0.75 ATR (0.50) ATRATRIPMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US claimed
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-04-30 US disclosed
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof RECURSION PHARMACEUTICALS, INC. (US) 2026-02-03 US disclosed
US-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-25 US disclosed
US-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF EXSCIENTIA AI LIMITED (GB) 2024-04-18 US disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP disclosed
EP-4269403-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP disclosed
EP-4269403-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP disclosed
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP disclosed
WO-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed
WO-2022134641-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 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 (5 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-20240132489-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK17, CDK8 PIK3CA 794/4885PIK3R1 861/4885GAA 974/4885
US-20240124504-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF CDK7, CDK17, CDK8 PIK3CA 419/4885PIK3R1 517/4885GAA 594/4885
US-12540149-B2 Aromatic heterocyclic compound, pharmaceutical composition, and use thereof CDK7, CDK17, CDK1 PIK3CA 868/4885PIK3R1 704/4885GAA 2096/4885
US-20260116903-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF CDK7, CDK8, CDK6 PIK3CA 843/4885PIK3R1 791/4885GAA 2724/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS PIK3CA 371/4885PIK3R1 1695/4885GAA 57/4885

“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.